5-chloro-2-N,4-N-bis[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine

C12H17ClN4O2 — CID 136582978

IUPAC5-chloro-2-N,4-N-bis[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESClc1cnc(N[C@@H]2CCOC2)nc1N[C@@H]1CCOC1
InChIInChI=1S/C12H17ClN4O2/c13-10-5-14-12(16-9-2-4-19-7-9)17-11(10)15-8-1-3-18-6-8/h5,8-9H,1-4,6-7H2,(H2,14,15,16,17)/t8-,9-/m1/s1
InChIKeyPYTZVUIFMBJBLX-RKDXNWHRSA-N
MW284.75 g/mol
LogP1.53
Rot. Bonds4

About 5-chloro-2-N,4-N-bis[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine

5-chloro-2-N,4-N-bis[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine (PubChem CID 136582978) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-chloro-2-N,4-N-bis[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N,4-N-bis[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
PubChem CID136582978
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name5-chloro-2-N,4-N-bis[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESClc1cnc(N[C@@H]2CCOC2)nc1N[C@@H]1CCOC1
InChIInChI=1S/C12H17ClN4O2/c13-10-5-14-12(16-9-2-4-19-7-9)17-11(10)15-8-1-3-18-6-8/h5,8-9H,1-4,6-7H2,(H2,14,15,16,17)/t8-,9-/m1/s1
InChIKeyPYTZVUIFMBJBLX-RKDXNWHRSA-N
XLogP1.53
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-N,4-N-bis[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 124207324
CID 124207324
CID 126809366
CID 126809366
CID 171597922
CID 171597922
CID 176038277
CID 176038277
CID 72874699
CID 72874699
CID 79075365
CID 79075365
CID 79081560
CID 79081560
CID 79633136
CID 79633136
CID 80713426
CID 80713426
CID 80758824
CID 80758824
CID 80813193
CID 80813193
CID 80813298
CID 80813298

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N,4-N-bis[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N,4-N-bis[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine (CID 136582978) is 5-chloro-2-N,4-N-bis[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N,4-N-bis[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N,4-N-bis[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine is Clc1cnc(N[C@@H]2CCOC2)nc1N[C@@H]1CCOC1.
What is the InChIKey of 5-chloro-2-N,4-N-bis[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is PYTZVUIFMBJBLX-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c13-10-5-14-12(16-9-2-4-19-7-9)17-11(10)15-8-1-3-18-6-8/h5,8-9H,1-4,6-7H2,(H2,14,15,16,17)/t8-,9-/m1/s1.
What are the key properties of 5-chloro-2-N,4-N-bis[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
5-chloro-2-N,4-N-bis[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 284.75 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N,4-N-bis[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 136582978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).