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

C14H21ClN4O2 — CID 94431568

IUPAC6-chloro-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(N(C[C@H]2CCCO2)C[C@@H]2CCCO2)n1
InChIInChI=1S/C14H21ClN4O2/c15-12-7-13(18-14(16)17-12)19(8-10-3-1-5-20-10)9-11-4-2-6-21-11/h7,10-11H,1-6,8-9H2,(H2,16,17,18)/t10-,11+
InChIKeyRJQUOPILJZKSSW-PHIMTYICSA-N
MW312.80 g/mol
LogP1.88
Rot. Bonds5

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

6-chloro-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 94431568) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is 6-chloro-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
PubChem CID94431568
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Name6-chloro-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(N(C[C@H]2CCCO2)C[C@@H]2CCCO2)n1
InChIInChI=1S/C14H21ClN4O2/c15-12-7-13(18-14(16)17-12)19(8-10-3-1-5-20-10)9-11-4-2-6-21-11/h7,10-11H,1-6,8-9H2,(H2,16,17,18)/t10-,11+
InChIKeyRJQUOPILJZKSSW-PHIMTYICSA-N
XLogP1.88
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N,6-dimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 78928250
4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80800047
N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80947627
6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine
CID 80646622
3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435099
6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938173
6-(2-aminoethyl)-N-ethyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 95207222
2-N-ethyl-6-methoxy-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799814
6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 50953322
4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342
3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 114836813
[3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61435500

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine (CID 94431568) is 6-chloro-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine is Nc1nc(Cl)cc(N(C[C@H]2CCCO2)C[C@@H]2CCCO2)n1.
What is the InChIKey of 6-chloro-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is RJQUOPILJZKSSW-PHIMTYICSA-N. The full InChI is InChI=1S/C14H21ClN4O2/c15-12-7-13(18-14(16)17-12)19(8-10-3-1-5-20-10)9-11-4-2-6-21-11/h7,10-11H,1-6,8-9H2,(H2,16,17,18)/t10-,11+.
What are the key properties of 6-chloro-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 312.80 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 94431568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).