2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine

C16H21N5O — CID 135114364

IUPAC2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(N[C@H]2COC[C@H]2Cc2ccncc2)n1
InChIInChI=1S/C16H21N5O/c1-11-7-15(21-16(17-2)19-11)20-14-10-22-9-13(14)8-12-3-5-18-6-4-12/h3-7,13-14H,8-10H2,1-2H3,(H2,17,19,20,21)/t13-,14+/m1/s1
InChIKeyAXTNVYIRLZCWJF-KGLIPLIRSA-N
MW299.38 g/mol
LogP1.89
Rot. Bonds5

About 2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine

2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine (PubChem CID 135114364) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
PubChem CID135114364
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(N[C@H]2COC[C@H]2Cc2ccncc2)n1
InChIInChI=1S/C16H21N5O/c1-11-7-15(21-16(17-2)19-11)20-14-10-22-9-13(14)8-12-3-5-18-6-4-12/h3-7,13-14H,8-10H2,1-2H3,(H2,17,19,20,21)/t13-,14+/m1/s1
InChIKeyAXTNVYIRLZCWJF-KGLIPLIRSA-N
XLogP1.89
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine
CID 135101105
3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine
CID 134698415
5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridin-2-amine
CID 162634340
4-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 91766556
5-chloro-6-methyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 135097590
5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine
CID 135094889
N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide
CID 135110585
3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856009
4-[4-(dimethylamino)phenyl]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine
CID 162627454
1-(3,5-dimethylphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine
CID 135111812
4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80769558
1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea
CID 155919724

Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine (CID 135114364) is 2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine is CNc1nc(C)cc(N[C@H]2COC[C@H]2Cc2ccncc2)n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is AXTNVYIRLZCWJF-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-7-15(21-16(17-2)19-11)20-14-10-22-9-13(14)8-12-3-5-18-6-4-12/h3-7,13-14H,8-10H2,1-2H3,(H2,17,19,20,21)/t13-,14+/m1/s1.
What are the key properties of 2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 299.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 135114364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).