4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde

C19H25N7O — CID 10067549

IUPAC4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1NC1CCCC1
InChIInChI=1S/C19H25N7O/c27-13-14-11-22-19(25-18(14)23-15-3-1-2-4-15)24-17-6-5-16(12-21-17)26-9-7-20-8-10-26/h5-6,11-13,15,20H,1-4,7-10H2,(H2,21,22,23,24,25)
InChIKeyHKDZAONYPKFBBW-UHFFFAOYSA-N
MW367.46 g/mol
LogP2.19
Rot. Bonds6

About 4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde

4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde (PubChem CID 10067549) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde
PubChem CID10067549
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1NC1CCCC1
InChIInChI=1S/C19H25N7O/c27-13-14-11-22-19(25-18(14)23-15-3-1-2-4-15)24-17-6-5-16(12-21-17)26-9-7-20-8-10-26/h5-6,11-13,15,20H,1-4,7-10H2,(H2,21,22,23,24,25)
InChIKeyHKDZAONYPKFBBW-UHFFFAOYSA-N
XLogP2.19
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

[4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol
CID 10248532
tert-butyl [4-[6-[[4-(cyclopentylamino)-5-formylpyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl] carbonate
CID 87616889
2-[7-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[3,2-d]pyrimidin-6-yl]-3-hydroxyazetidine-1-carbaldehyde
CID 130422229
5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 68899926
(E)-1-[7-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-6-yl]-2-methylbut-2-en-1-one
CID 163734758
2-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)acetamide
CID 119260362
(2S,6S)-14-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]-1,7,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-9,11,13,15-tetraen-8-one
CID 170078366
4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile
CID 10063148
8-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299868
4-(2-ethylpiperidin-1-yl)-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidine-5-carbaldehyde
CID 166686063
8-(2,2-difluorocyclopentyl)-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carbaldehyde
CID 145063259
4-[(4-aminocyclohexyl)amino]-2-(4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 44596071

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde (CID 10067549) is 4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde is O=Cc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1NC1CCCC1.
What is the InChIKey of 4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde?
The InChIKey is HKDZAONYPKFBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c27-13-14-11-22-19(25-18(14)23-15-3-1-2-4-15)24-17-6-5-16(12-21-17)26-9-7-20-8-10-26/h5-6,11-13,15,20H,1-4,7-10H2,(H2,21,22,23,24,25).
What are the key properties of 4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde?
4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde has a molecular weight of 367.46 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 10067549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).