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

C16H19ClN6 — CID 56884726

IUPACN-[(6-chloro-3-pyridinyl)methyl]-N,1-dimethyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(C)c1nc(N(C)Cc2ccc(Cl)nc2)c2cnn(C)c2n1
InChIInChI=1S/C16H19ClN6/c1-10(2)14-20-15(12-8-19-23(4)16(12)21-14)22(3)9-11-5-6-13(17)18-7-11/h5-8,10H,9H2,1-4H3
InChIKeyWZYSDPPRSXQJOM-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.17
Rot. Bonds4

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

N-[(6-chloro-3-pyridinyl)methyl]-N,1-dimethyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56884726) has the molecular formula C16H19ClN6 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-N,1-dimethyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-N,1-dimethyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56884726
Molecular FormulaC16H19ClN6
Molecular Weight330.82 g/mol
Exact Mass330.14
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-N,1-dimethyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(C)c1nc(N(C)Cc2ccc(Cl)nc2)c2cnn(C)c2n1
InChIInChI=1S/C16H19ClN6/c1-10(2)14-20-15(12-8-19-23(4)16(12)21-14)22(3)9-11-5-6-13(17)18-7-11/h5-8,10H,9H2,1-4H3
InChIKeyWZYSDPPRSXQJOM-UHFFFAOYSA-N
XLogP3.17
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N,1-dimethyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N,1-dimethyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine (CID 56884726) is N-[(6-chloro-3-pyridinyl)methyl]-N,1-dimethyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-N,1-dimethyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-N,1-dimethyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine is CC(C)c1nc(N(C)Cc2ccc(Cl)nc2)c2cnn(C)c2n1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-N,1-dimethyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is WZYSDPPRSXQJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6/c1-10(2)14-20-15(12-8-19-23(4)16(12)21-14)22(3)9-11-5-6-13(17)18-7-11/h5-8,10H,9H2,1-4H3.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-N,1-dimethyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine?
N-[(6-chloro-3-pyridinyl)methyl]-N,1-dimethyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 330.82 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-N,1-dimethyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56884726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).