5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine

C14H18ClN5O2 — CID 100694651

IUPAC5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NC[C@@H]2CCO[C@H]2c2ccnn2C)n1
InChIInChI=1S/C14H18ClN5O2/c1-20-11(3-5-18-20)12-9(4-6-22-12)7-16-13-10(15)8-17-14(19-13)21-2/h3,5,8-9,12H,4,6-7H2,1-2H3,(H,16,17,19)/t9-,12+/m0/s1
InChIKeyBDCCBYRYZYKCLB-JOYOIKCWSA-N
MW323.78 g/mol
LogP2.06
Rot. Bonds5

About 5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine

5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine (PubChem CID 100694651) has the molecular formula C14H18ClN5O2 and a molecular weight of 323.78 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
PubChem CID100694651
Molecular FormulaC14H18ClN5O2
Molecular Weight323.78 g/mol
Exact Mass323.11
IUPAC Name5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NC[C@@H]2CCO[C@H]2c2ccnn2C)n1
InChIInChI=1S/C14H18ClN5O2/c1-20-11(3-5-18-20)12-9(4-6-22-12)7-16-13-10(15)8-17-14(19-13)21-2/h3,5,8-9,12H,4,6-7H2,1-2H3,(H,16,17,19)/t9-,12+/m0/s1
InChIKeyBDCCBYRYZYKCLB-JOYOIKCWSA-N
XLogP2.06
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine (CID 100694651) is 5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine is COc1ncc(Cl)c(NC[C@@H]2CCO[C@H]2c2ccnn2C)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is BDCCBYRYZYKCLB-JOYOIKCWSA-N. The full InChI is InChI=1S/C14H18ClN5O2/c1-20-11(3-5-18-20)12-9(4-6-22-12)7-16-13-10(15)8-17-14(19-13)21-2/h3,5,8-9,12H,4,6-7H2,1-2H3,(H,16,17,19)/t9-,12+/m0/s1.
What are the key properties of 5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine?
5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 323.78 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 100694651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).