4-N-(3-aminopropyl)-5-cyclopropyl-2-N-(1-methylindazol-5-yl)pyrimidine-2,4-diamine

C18H23N7 — CID 68624563

IUPAC4-N-(3-aminopropyl)-5-cyclopropyl-2-N-(1-methylindazol-5-yl)pyrimidine-2,4-diamine
SMILESCn1ncc2cc(Nc3ncc(C4CC4)c(NCCCN)n3)ccc21
InChIInChI=1S/C18H23N7/c1-25-16-6-5-14(9-13(16)10-22-25)23-18-21-11-15(12-3-4-12)17(24-18)20-8-2-7-19/h5-6,9-12H,2-4,7-8,19H2,1H3,(H2,20,21,23,24)
InChIKeyVVBFVISUIXYAKA-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.74
Rot. Bonds7

About 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-(1-methylindazol-5-yl)pyrimidine-2,4-diamine

4-N-(3-aminopropyl)-5-cyclopropyl-2-N-(1-methylindazol-5-yl)pyrimidine-2,4-diamine (PubChem CID 68624563) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-(1-methylindazol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-aminopropyl)-5-cyclopropyl-2-N-(1-methylindazol-5-yl)pyrimidine-2,4-diamine
PubChem CID68624563
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name4-N-(3-aminopropyl)-5-cyclopropyl-2-N-(1-methylindazol-5-yl)pyrimidine-2,4-diamine
SMILESCn1ncc2cc(Nc3ncc(C4CC4)c(NCCCN)n3)ccc21
InChIInChI=1S/C18H23N7/c1-25-16-6-5-14(9-13(16)10-22-25)23-18-21-11-15(12-3-4-12)17(24-18)20-8-2-7-19/h5-6,9-12H,2-4,7-8,19H2,1H3,(H2,20,21,23,24)
InChIKeyVVBFVISUIXYAKA-UHFFFAOYSA-N
XLogP2.74
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(1-methylindazol-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-(1-methylindazol-5-yl)pyrimidine-2,4-diamine (CID 68624563) is 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-(1-methylindazol-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-(1-methylindazol-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-(1-methylindazol-5-yl)pyrimidine-2,4-diamine is Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCN)n3)ccc21.
What is the InChIKey of 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-(1-methylindazol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is VVBFVISUIXYAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-25-16-6-5-14(9-13(16)10-22-25)23-18-21-11-15(12-3-4-12)17(24-18)20-8-2-7-19/h5-6,9-12H,2-4,7-8,19H2,1H3,(H2,20,21,23,24).
What are the key properties of 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-(1-methylindazol-5-yl)pyrimidine-2,4-diamine?
4-N-(3-aminopropyl)-5-cyclopropyl-2-N-(1-methylindazol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 337.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-(1-methylindazol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 68624563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).