6-N-[(7-ethyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

C17H29N5O2 — CID 131652715

IUPAC6-N-[(7-ethyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCCN1CCOCC2(CCC(CNc3cc(N(C)C)ncn3)O2)C1
InChIInChI=1S/C17H29N5O2/c1-4-22-7-8-23-12-17(11-22)6-5-14(24-17)10-18-15-9-16(21(2)3)20-13-19-15/h9,13-14H,4-8,10-12H2,1-3H3,(H,18,19,20)
InChIKeyHOKATBCSYZWENX-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.22
Rot. Bonds5

About 6-N-[(7-ethyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

6-N-[(7-ethyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 131652715) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 6-N-[(7-ethyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(7-ethyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID131652715
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name6-N-[(7-ethyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCCN1CCOCC2(CCC(CNc3cc(N(C)C)ncn3)O2)C1
InChIInChI=1S/C17H29N5O2/c1-4-22-7-8-23-12-17(11-22)6-5-14(24-17)10-18-15-9-16(21(2)3)20-13-19-15/h9,13-14H,4-8,10-12H2,1-3H3,(H,18,19,20)
InChIKeyHOKATBCSYZWENX-UHFFFAOYSA-N
XLogP1.22
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-N-[(7-ethyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

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
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
N4-methyl-N6-((tetrahydrofuran-2-yl)methyl)pyrimidine-4,6-diamine
CID 66732211
N-[(2R)-1-methoxypropan-2-yl]-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
CID 118972914
N4,N4-dimethyl-N6-((tetrahydrofuran-2-yl)methyl)pyrimidine-4,6-diamine
CID 74665126
[1-[6-[1-(Oxolan-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 75442007
4-N,6-N-bis[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 75524460

Frequently Asked Questions

What is the IUPAC name of 6-N-[(7-ethyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 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) is 6-N-[(7-ethyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(7-ethyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(7-ethyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is CCN1CCOCC2(CCC(CNc3cc(N(C)C)ncn3)O2)C1.
What is the InChIKey of 6-N-[(7-ethyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is HOKATBCSYZWENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-4-22-7-8-23-12-17(11-22)6-5-14(24-17)10-18-15-9-16(21(2)3)20-13-19-15/h9,13-14H,4-8,10-12H2,1-3H3,(H,18,19,20).
What are the key properties of 6-N-[(7-ethyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
6-N-[(7-ethyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 335.45 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(7-ethyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 131652715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).