5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine

C11H17ClN4O — CID 129320709

IUPAC5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine
SMILESCC1(C)CC[C@@H](CNc2ncnc(N)c2Cl)O1
InChIInChI=1S/C11H17ClN4O/c1-11(2)4-3-7(17-11)5-14-10-8(12)9(13)15-6-16-10/h6-7H,3-5H2,1-2H3,(H3,13,14,15,16)/t7-/m0/s1
InChIKeySYQNVGYPSJIAGQ-ZETCQYMHSA-N
MW256.74 g/mol
LogP2.08
Rot. Bonds3

About 5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine

5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine (PubChem CID 129320709) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine
PubChem CID129320709
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine
SMILESCC1(C)CC[C@@H](CNc2ncnc(N)c2Cl)O1
InChIInChI=1S/C11H17ClN4O/c1-11(2)4-3-7(17-11)5-14-10-8(12)9(13)15-6-16-10/h6-7H,3-5H2,1-2H3,(H3,13,14,15,16)/t7-/m0/s1
InChIKeySYQNVGYPSJIAGQ-ZETCQYMHSA-N
XLogP2.08
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine (CID 129320709) is 5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine is CC1(C)CC[C@@H](CNc2ncnc(N)c2Cl)O1.
What is the InChIKey of 5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine?
The InChIKey is SYQNVGYPSJIAGQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-11(2)4-3-7(17-11)5-14-10-8(12)9(13)15-6-16-10/h6-7H,3-5H2,1-2H3,(H3,13,14,15,16)/t7-/m0/s1.
What are the key properties of 5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine?
5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine has a molecular weight of 256.74 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 129320709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).