4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-amine

C16H18Cl2N6 — CID 58762814

IUPAC4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1cnc(Cn2nc(C(C)C)c3c(Cl)nc(N)nc32)c(C)c1Cl
InChIInChI=1S/C16H18Cl2N6/c1-7(2)13-11-14(18)21-16(19)22-15(11)24(23-13)6-10-9(4)12(17)8(3)5-20-10/h5,7H,6H2,1-4H3,(H2,19,21,22)
InChIKeyFDYCLJDIUBFDPC-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.90
Rot. Bonds3

About 4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-amine

4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 58762814) has the molecular formula C16H18Cl2N6 and a molecular weight of 365.27 g/mol. Its IUPAC name is 4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID58762814
Molecular FormulaC16H18Cl2N6
Molecular Weight365.27 g/mol
Exact Mass364.10
IUPAC Name4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1cnc(Cn2nc(C(C)C)c3c(Cl)nc(N)nc32)c(C)c1Cl
InChIInChI=1S/C16H18Cl2N6/c1-7(2)13-11-14(18)21-16(19)22-15(11)24(23-13)6-10-9(4)12(17)8(3)5-20-10/h5,7H,6H2,1-4H3,(H2,19,21,22)
InChIKeyFDYCLJDIUBFDPC-UHFFFAOYSA-N
XLogP3.90
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-amine (CID 58762814) is 4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-amine is Cc1cnc(Cn2nc(C(C)C)c3c(Cl)nc(N)nc32)c(C)c1Cl.
What is the InChIKey of 4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is FDYCLJDIUBFDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N6/c1-7(2)13-11-14(18)21-16(19)22-15(11)24(23-13)6-10-9(4)12(17)8(3)5-20-10/h5,7H,6H2,1-4H3,(H2,19,21,22).
What are the key properties of 4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-amine?
4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 365.27 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-3-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 58762814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).