4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-4,6-diamine

C17H29N5O — CID 171993910

IUPAC4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(N(C)C2CCN(CC3CCCOC3)C2)ncn1
InChIInChI=1S/C17H29N5O/c1-20(2)16-9-17(19-13-18-16)21(3)15-6-7-22(11-15)10-14-5-4-8-23-12-14/h9,13-15H,4-8,10-12H2,1-3H3
InChIKeyRPRVOUYZBDMBFB-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.48
Rot. Bonds5

About 4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-4,6-diamine

4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-4,6-diamine (PubChem CID 171993910) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-4,6-diamine
PubChem CID171993910
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(N(C)C2CCN(CC3CCCOC3)C2)ncn1
InChIInChI=1S/C17H29N5O/c1-20(2)16-9-17(19-13-18-16)21(3)15-6-7-22(11-15)10-14-5-4-8-23-12-14/h9,13-15H,4-8,10-12H2,1-3H3
InChIKeyRPRVOUYZBDMBFB-UHFFFAOYSA-N
XLogP1.48
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)piperidin-3-yl]pyrimidine-4,6-diamine
CID 171994661
N-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171993953
4-N,6-N,6-N-trimethyl-4-N-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine
CID 172881585
4-N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
CID 171998623
4-N,6-N,6-N-trimethyl-4-N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]pyrimidine-4,6-diamine
CID 172893202
4-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
CID 171998496
6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171998123
4-N,6-N,6-N-trimethyl-4-N-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-3-yl]pyrimidine-4,6-diamine
CID 171997086
1-(oxan-3-ylmethyl)pyrrolidine
CID 91805344
4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine
CID 99703962
(3S)-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 96512243
N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890079

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-4,6-diamine (CID 171993910) is 4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-4,6-diamine is CN(C)c1cc(N(C)C2CCN(CC3CCCOC3)C2)ncn1.
What is the InChIKey of 4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-4,6-diamine?
The InChIKey is RPRVOUYZBDMBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-20(2)16-9-17(19-13-18-16)21(3)15-6-7-22(11-15)10-14-5-4-8-23-12-14/h9,13-15H,4-8,10-12H2,1-3H3.
What are the key properties of 4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-4,6-diamine?
4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-4,6-diamine has a molecular weight of 319.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N,6-N-trimethyl-4-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 171993910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).