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

C15H18ClN5O — CID 135097590

IUPAC5-chloro-6-methyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N[C@H]2COC[C@H]2Cc2ccncc2)c1Cl
InChIInChI=1S/C15H18ClN5O/c1-9-13(16)14(21-15(17)19-9)20-12-8-22-7-11(12)6-10-2-4-18-5-3-10/h2-5,11-12H,6-8H2,1H3,(H3,17,19,20,21)/t11-,12+/m1/s1
InChIKeyGAROVBLQFSPZJL-NEPJUHHUSA-N
MW319.80 g/mol
LogP2.09
Rot. Bonds4

About 5-chloro-6-methyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine

5-chloro-6-methyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine (PubChem CID 135097590) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 5-chloro-6-methyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-6-methyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
PubChem CID135097590
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name5-chloro-6-methyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N[C@H]2COC[C@H]2Cc2ccncc2)c1Cl
InChIInChI=1S/C15H18ClN5O/c1-9-13(16)14(21-15(17)19-9)20-12-8-22-7-11(12)6-10-2-4-18-5-3-10/h2-5,11-12H,6-8H2,1H3,(H3,17,19,20,21)/t11-,12+/m1/s1
InChIKeyGAROVBLQFSPZJL-NEPJUHHUSA-N
XLogP2.09
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine
CID 134698415
2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 135114364
5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid
CID 162627567
4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine
CID 135101105
5,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]thieno[2,3-d]pyrimidin-4-amine
CID 135113362
5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridin-2-amine
CID 162634340
N,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide
CID 135104961
4-chloro-1-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrrole-2-carboxamide
CID 135111451
2-ethyl-4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-5-carboxamide
CID 134713583
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135105074
2-amino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 135106889
5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine
CID 135094889

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-6-methyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine (CID 135097590) is 5-chloro-6-methyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-6-methyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-6-methyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine is Cc1nc(N)nc(N[C@H]2COC[C@H]2Cc2ccncc2)c1Cl.
What is the InChIKey of 5-chloro-6-methyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is GAROVBLQFSPZJL-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H18ClN5O/c1-9-13(16)14(21-15(17)19-9)20-12-8-22-7-11(12)6-10-2-4-18-5-3-10/h2-5,11-12H,6-8H2,1H3,(H3,17,19,20,21)/t11-,12+/m1/s1.
What are the key properties of 5-chloro-6-methyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine?
5-chloro-6-methyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 319.80 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 135097590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).