4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidine-2,4-diamine

C19H24N8 — CID 68624379

IUPAC4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidine-2,4-diamine
SMILESCn1cc(-c2ccc(Nc3ncc(C4CC4)c(NCCCN)n3)cn2)cn1
InChIInChI=1S/C19H24N8/c1-27-12-14(9-24-27)17-6-5-15(10-22-17)25-19-23-11-16(13-3-4-13)18(26-19)21-8-2-7-20/h5-6,9-13H,2-4,7-8,20H2,1H3,(H2,21,23,25,26)
InChIKeyHWDWABJKPBFSLM-UHFFFAOYSA-N
MW364.46 g/mol
LogP2.65
Rot. Bonds8

About 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidine-2,4-diamine

4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidine-2,4-diamine (PubChem CID 68624379) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidine-2,4-diamine
PubChem CID68624379
Molecular FormulaC19H24N8
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC Name4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidine-2,4-diamine
SMILESCn1cc(-c2ccc(Nc3ncc(C4CC4)c(NCCCN)n3)cn2)cn1
InChIInChI=1S/C19H24N8/c1-27-12-14(9-24-27)17-6-5-15(10-22-17)25-19-23-11-16(13-3-4-13)18(26-19)21-8-2-7-20/h5-6,9-13H,2-4,7-8,20H2,1H3,(H2,21,23,25,26)
InChIKeyHWDWABJKPBFSLM-UHFFFAOYSA-N
XLogP2.65
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidine-2,4-diamine (CID 68624379) is 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidine-2,4-diamine is Cn1cc(-c2ccc(Nc3ncc(C4CC4)c(NCCCN)n3)cn2)cn1.
What is the InChIKey of 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidine-2,4-diamine?
The InChIKey is HWDWABJKPBFSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8/c1-27-12-14(9-24-27)17-6-5-15(10-22-17)25-19-23-11-16(13-3-4-13)18(26-19)21-8-2-7-20/h5-6,9-13H,2-4,7-8,20H2,1H3,(H2,21,23,25,26).
What are the key properties of 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidine-2,4-diamine?
4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidine-2,4-diamine has a molecular weight of 364.46 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 68624379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).