4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine

C20H32N8 — CID 68624384

IUPAC4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
SMILESNCCCNc1nc(Nc2cnn(CCN3CCCCC3)c2)ncc1C1CC1
InChIInChI=1S/C20H32N8/c21-7-4-8-22-19-18(16-5-6-16)14-23-20(26-19)25-17-13-24-28(15-17)12-11-27-9-2-1-3-10-27/h13-16H,1-12,21H2,(H2,22,23,25,26)
InChIKeyWABKOGDZJNANMF-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.54
Rot. Bonds10

About 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine

4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine (PubChem CID 68624384) has the molecular formula C20H32N8 and a molecular weight of 384.53 g/mol. Its IUPAC name is 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
PubChem CID68624384
Molecular FormulaC20H32N8
Molecular Weight384.53 g/mol
Exact Mass384.27
IUPAC Name4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
SMILESNCCCNc1nc(Nc2cnn(CCN3CCCCC3)c2)ncc1C1CC1
InChIInChI=1S/C20H32N8/c21-7-4-8-22-19-18(16-5-6-16)14-23-20(26-19)25-17-13-24-28(15-17)12-11-27-9-2-1-3-10-27/h13-16H,1-12,21H2,(H2,22,23,25,26)
InChIKeyWABKOGDZJNANMF-UHFFFAOYSA-N
XLogP2.54
TPSA96.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.54
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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Related Compounds

4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidine-2,4-diamine
CID 68624379
4-N-(3-aminopropyl)-5-cyclopropyl-2-N-(1-methylindazol-5-yl)pyrimidine-2,4-diamine
CID 68624563
[3-[[4-(3-aminopropylamino)-5-cyclopropylpyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 68622905
5-chloro-2-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 166452178
2-[3-[[4-(3-aminopropylamino)-5-cyclopropylpyrimidin-2-yl]amino]phenyl]acetonitrile
CID 68622170
2-chloro-5-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 165402278
3-[[4-(3-aminopropylamino)-5-cyclopropylpyrimidin-2-yl]amino]benzamide
CID 68623099
4-N-(3-aminopropyl)-2-N-(3H-benzimidazol-5-yl)-5-cyclopropylpyrimidine-2,4-diamine
CID 68622343
N-[3-[[5-cyclopropyl-2-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 59225261
3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide
CID 68622907
N-[3-[[5-cyclopropyl-2-[(1-hydroxy-2-methylisoindol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 90713881
N-[3-[[2-(3-aminoanilino)-5-cyclopropylpyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 68622276

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine (CID 68624384) is 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine is NCCCNc1nc(Nc2cnn(CCN3CCCCC3)c2)ncc1C1CC1.
What is the InChIKey of 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine?
The InChIKey is WABKOGDZJNANMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N8/c21-7-4-8-22-19-18(16-5-6-16)14-23-20(26-19)25-17-13-24-28(15-17)12-11-27-9-2-1-3-10-27/h13-16H,1-12,21H2,(H2,22,23,25,26).
What are the key properties of 4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine?
4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine has a molecular weight of 384.53 g/mol, XLogP of 2.54, 10 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-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 68624384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).