N-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine

C22H26N6 — CID 112898736

IUPACN-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESc1ccc(CCCNc2nccc(N3CCN(c4ccccn4)CC3)n2)cc1
InChIInChI=1S/C22H26N6/c1-2-7-19(8-3-1)9-6-13-24-22-25-14-11-21(26-22)28-17-15-27(16-18-28)20-10-4-5-12-23-20/h1-5,7-8,10-12,14H,6,9,13,15-18H2,(H,24,25,26)
InChIKeyHMHASQRVIDTBLA-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.24
Rot. Bonds7

About N-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine

N-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112898736) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112898736
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC NameN-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESc1ccc(CCCNc2nccc(N3CCN(c4ccccn4)CC3)n2)cc1
InChIInChI=1S/C22H26N6/c1-2-7-19(8-3-1)9-6-13-24-22-25-14-11-21(26-22)28-17-15-27(16-18-28)20-10-4-5-12-23-20/h1-5,7-8,10-12,14H,6,9,13,15-18H2,(H,24,25,26)
InChIKeyHMHASQRVIDTBLA-UHFFFAOYSA-N
XLogP3.24
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112898819
N-[2-(3-methoxyphenyl)ethyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112895248
1-[2-(3-phenylpropylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193957
N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893321
N-[(4-methylphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112890443
4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
CID 112886384
N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898748
N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-methyl-N'-(3-phenylpropyl)ethane-1,2-diamine
CID 66903731
N-[(2-methoxyphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112892285
N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898903
4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 112881929
4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine
CID 112922173

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine (CID 112898736) is N-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine is c1ccc(CCCNc2nccc(N3CCN(c4ccccn4)CC3)n2)cc1.
What is the InChIKey of N-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is HMHASQRVIDTBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-2-7-19(8-3-1)9-6-13-24-22-25-14-11-21(26-22)28-17-15-27(16-18-28)20-10-4-5-12-23-20/h1-5,7-8,10-12,14H,6,9,13,15-18H2,(H,24,25,26).
What are the key properties of N-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
N-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 374.49 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112898736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).