5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine

C15H20BrN7 — CID 59757952

IUPAC5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine
SMILESBrc1cnc(NC2CCNCC2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C15H20BrN7/c16-11-8-18-15(19-10-3-5-17-6-4-10)21-14(11)20-13-7-12(22-23-13)9-1-2-9/h7-10,17H,1-6H2,(H3,18,19,20,21,22,23)
InChIKeyNYKGPOBVQCGNKS-UHFFFAOYSA-N
MW378.28 g/mol
LogP2.75
Rot. Bonds5

About 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine

5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine (PubChem CID 59757952) has the molecular formula C15H20BrN7 and a molecular weight of 378.28 g/mol. Its IUPAC name is 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine
PubChem CID59757952
Molecular FormulaC15H20BrN7
Molecular Weight378.28 g/mol
Exact Mass377.10
IUPAC Name5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine
SMILESBrc1cnc(NC2CCNCC2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C15H20BrN7/c16-11-8-18-15(19-10-3-5-17-6-4-10)21-14(11)20-13-7-12(22-23-13)9-1-2-9/h7-10,17H,1-6H2,(H3,18,19,20,21,22,23)
InChIKeyNYKGPOBVQCGNKS-UHFFFAOYSA-N
XLogP2.75
TPSA90.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine (CID 59757952) is 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine is Brc1cnc(NC2CCNCC2)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine?
The InChIKey is NYKGPOBVQCGNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN7/c16-11-8-18-15(19-10-3-5-17-6-4-10)21-14(11)20-13-7-12(22-23-13)9-1-2-9/h7-10,17H,1-6H2,(H3,18,19,20,21,22,23).
What are the key properties of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine?
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine has a molecular weight of 378.28 g/mol, XLogP of 2.75, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 59757952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).