2-N-methyl-4-N-[(3R)-oxan-3-yl]-2-N-[(1R)-1-pyridin-2-ylethyl]pyrimidine-2,4-diamine

C17H23N5O — CID 129344216

IUPAC2-N-methyl-4-N-[(3R)-oxan-3-yl]-2-N-[(1R)-1-pyridin-2-ylethyl]pyrimidine-2,4-diamine
SMILESC[C@H](c1ccccn1)N(C)c1nccc(N[C@@H]2CCCOC2)n1
InChIInChI=1S/C17H23N5O/c1-13(15-7-3-4-9-18-15)22(2)17-19-10-8-16(21-17)20-14-6-5-11-23-12-14/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3,(H,19,20,21)/t13-,14-/m1/s1
InChIKeyYTVOVOJSAXLXBL-ZIAGYGMSSA-N
MW313.40 g/mol
LogP2.66
Rot. Bonds5

About 2-N-methyl-4-N-[(3R)-oxan-3-yl]-2-N-[(1R)-1-pyridin-2-ylethyl]pyrimidine-2,4-diamine

2-N-methyl-4-N-[(3R)-oxan-3-yl]-2-N-[(1R)-1-pyridin-2-ylethyl]pyrimidine-2,4-diamine (PubChem CID 129344216) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-N-methyl-4-N-[(3R)-oxan-3-yl]-2-N-[(1R)-1-pyridin-2-ylethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-[(3R)-oxan-3-yl]-2-N-[(1R)-1-pyridin-2-ylethyl]pyrimidine-2,4-diamine
PubChem CID129344216
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-N-methyl-4-N-[(3R)-oxan-3-yl]-2-N-[(1R)-1-pyridin-2-ylethyl]pyrimidine-2,4-diamine
SMILESC[C@H](c1ccccn1)N(C)c1nccc(N[C@@H]2CCCOC2)n1
InChIInChI=1S/C17H23N5O/c1-13(15-7-3-4-9-18-15)22(2)17-19-10-8-16(21-17)20-14-6-5-11-23-12-14/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3,(H,19,20,21)/t13-,14-/m1/s1
InChIKeyYTVOVOJSAXLXBL-ZIAGYGMSSA-N
XLogP2.66
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-methyl-4-N-[(3R)-oxan-3-yl]-2-N-[(1R)-1-pyridin-2-ylethyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-[methyl-[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]propanoic acid
CID 122048783
2-N-methyl-4-N-(oxan-3-yl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 129001291
2-N-methyl-4-N-[(3S)-oxan-3-yl]-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 129342986
2-[1-bromo-1-(oxan-3-yl)propan-2-yl]pyridine
CID 66455508
2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129343882
2-[[4-(oxan-3-ylamino)pyrimidin-2-yl]-propylamino]acetic acid
CID 122051371
[2-[[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol
CID 128996848
4-methyl-2-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]pentanoic acid
CID 122062510
4-N-[(3R)-oxan-3-yl]-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 129338410
4-methoxy-N-(oxan-3-yl)pyridin-2-amine
CID 115922910
2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129333487
5-bromo-2-N,4-N-dimethyl-2-N-[(1S)-1-pyridin-2-ylethyl]pyrimidine-2,4-diamine
CID 99631936

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-[(3R)-oxan-3-yl]-2-N-[(1R)-1-pyridin-2-ylethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-[(3R)-oxan-3-yl]-2-N-[(1R)-1-pyridin-2-ylethyl]pyrimidine-2,4-diamine (CID 129344216) is 2-N-methyl-4-N-[(3R)-oxan-3-yl]-2-N-[(1R)-1-pyridin-2-ylethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-[(3R)-oxan-3-yl]-2-N-[(1R)-1-pyridin-2-ylethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-[(3R)-oxan-3-yl]-2-N-[(1R)-1-pyridin-2-ylethyl]pyrimidine-2,4-diamine is C[C@H](c1ccccn1)N(C)c1nccc(N[C@@H]2CCCOC2)n1.
What is the InChIKey of 2-N-methyl-4-N-[(3R)-oxan-3-yl]-2-N-[(1R)-1-pyridin-2-ylethyl]pyrimidine-2,4-diamine?
The InChIKey is YTVOVOJSAXLXBL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13(15-7-3-4-9-18-15)22(2)17-19-10-8-16(21-17)20-14-6-5-11-23-12-14/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3,(H,19,20,21)/t13-,14-/m1/s1.
What are the key properties of 2-N-methyl-4-N-[(3R)-oxan-3-yl]-2-N-[(1R)-1-pyridin-2-ylethyl]pyrimidine-2,4-diamine?
2-N-methyl-4-N-[(3R)-oxan-3-yl]-2-N-[(1R)-1-pyridin-2-ylethyl]pyrimidine-2,4-diamine has a molecular weight of 313.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-[(3R)-oxan-3-yl]-2-N-[(1R)-1-pyridin-2-ylethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 129344216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).