4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-phenylpyrimidine-4,6-diamine

C20H25N7 — CID 70685405

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-phenylpyrimidine-4,6-diamine
SMILESCN(C)CCNc1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H25N7/c1-27(2)11-10-21-17-13-18(22-19-12-16(25-26-19)14-8-9-14)24-20(23-17)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H3,21,22,23,24,25,26)
InChIKeyGTNGLDDJVMYWNV-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.46
Rot. Bonds8

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-phenylpyrimidine-4,6-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-phenylpyrimidine-4,6-diamine (PubChem CID 70685405) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-phenylpyrimidine-4,6-diamine
PubChem CID70685405
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-phenylpyrimidine-4,6-diamine
SMILESCN(C)CCNc1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H25N7/c1-27(2)11-10-21-17-13-18(22-19-12-16(25-26-19)14-8-9-14)24-20(23-17)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H3,21,22,23,24,25,26)
InChIKeyGTNGLDDJVMYWNV-UHFFFAOYSA-N
XLogP3.46
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-phenylpyrimidine-4,6-diamine (CID 70685405) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-phenylpyrimidine-4,6-diamine is CN(C)CCNc1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-phenylpyrimidine-4,6-diamine?
The InChIKey is GTNGLDDJVMYWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-27(2)11-10-21-17-13-18(22-19-12-16(25-26-19)14-8-9-14)24-20(23-17)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H3,21,22,23,24,25,26).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-phenylpyrimidine-4,6-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-phenylpyrimidine-4,6-diamine has a molecular weight of 363.47 g/mol, XLogP of 3.46, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(dimethylamino)ethyl]-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 70685405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).