4-N,4-N-dimethyl-6-N-[[(2R,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine

C18H31N5O2 — CID 97452313

IUPAC4-N,4-N-dimethyl-6-N-[[(2R,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine
SMILESCC(C)N1CCOC[C@]2(CC[C@H](CNc3cc(N(C)C)ncn3)O2)C1
InChIInChI=1S/C18H31N5O2/c1-14(2)23-7-8-24-12-18(11-23)6-5-15(25-18)10-19-16-9-17(22(3)4)21-13-20-16/h9,13-15H,5-8,10-12H2,1-4H3,(H,19,20,21)/t15-,18+/m1/s1
InChIKeyAWPUDCWVABNVPE-QAPCUYQASA-N
MW349.48 g/mol
LogP1.61
Rot. Bonds5

About 4-N,4-N-dimethyl-6-N-[[(2R,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine

4-N,4-N-dimethyl-6-N-[[(2R,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine (PubChem CID 97452313) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-[[(2R,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-N-[[(2R,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine
PubChem CID97452313
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name4-N,4-N-dimethyl-6-N-[[(2R,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine
SMILESCC(C)N1CCOC[C@]2(CC[C@H](CNc3cc(N(C)C)ncn3)O2)C1
InChIInChI=1S/C18H31N5O2/c1-14(2)23-7-8-24-12-18(11-23)6-5-15(25-18)10-19-16-9-17(22(3)4)21-13-20-16/h9,13-15H,5-8,10-12H2,1-4H3,(H,19,20,21)/t15-,18+/m1/s1
InChIKeyAWPUDCWVABNVPE-QAPCUYQASA-N
XLogP1.61
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N,4-N-dimethyl-6-N-[[(2R,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 171359760
6-N-(1,10-dioxa-7-azaspiro[4.6]undecan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid
CID 155849503
4-N,4-N-dimethyl-6-N-[(7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]pyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid
CID 155851098
N,N-dimethyl-N'-[(2R*)-tetrahydro-2-furanylmethyl]-4,6-pyrimidinediamine
CID 39834385
4-N,4-N-dimethyl-6-N-[(7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]pyrimidine-4,6-diamine
CID 131638704
6-N-[(7-ethyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 131652715
2-[[[6-(Dimethylamino)pyrimidin-4-yl]amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide
CID 131656271
6-N-(1,10-dioxa-7-azaspiro[4.6]undecan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 131656673
4-N,6-N-dimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 57710246
N-[(2R)-1-methoxypropan-2-yl]-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
CID 118972914
4-N-cyclononyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 163616117
N4,N4-dimethyl-N6-((tetrahydrofuran-2-yl)methyl)pyrimidine-4,6-diamine
CID 74665126

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-N-[[(2R,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-N-[[(2R,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine (CID 97452313) is 4-N,4-N-dimethyl-6-N-[[(2R,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-N-[[(2R,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-N-[[(2R,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine is CC(C)N1CCOC[C@]2(CC[C@H](CNc3cc(N(C)C)ncn3)O2)C1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-[[(2R,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine?
The InChIKey is AWPUDCWVABNVPE-QAPCUYQASA-N. The full InChI is InChI=1S/C18H31N5O2/c1-14(2)23-7-8-24-12-18(11-23)6-5-15(25-18)10-19-16-9-17(22(3)4)21-13-20-16/h9,13-15H,5-8,10-12H2,1-4H3,(H,19,20,21)/t15-,18+/m1/s1.
What are the key properties of 4-N,4-N-dimethyl-6-N-[[(2R,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine?
4-N,4-N-dimethyl-6-N-[[(2R,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine has a molecular weight of 349.48 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-N-[[(2R,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 97452313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).