2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine

C19H27N5 — CID 112883773

IUPAC2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
SMILESCCC(C)Nc1nccc(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C19H27N5/c1-3-15(2)21-19-20-12-11-18(23-19)22-16-7-9-17(10-8-16)24-13-5-4-6-14-24/h7-12,15H,3-6,13-14H2,1-2H3,(H2,20,21,22,23)
InChIKeyLHAHTELTSCWUMK-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.42
Rot. Bonds6

About 2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine

2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112883773) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112883773
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
SMILESCCC(C)Nc1nccc(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C19H27N5/c1-3-15(2)21-19-20-12-11-18(23-19)22-16-7-9-17(10-8-16)24-13-5-4-6-14-24/h7-12,15H,3-6,13-14H2,1-2H3,(H2,20,21,22,23)
InChIKeyLHAHTELTSCWUMK-UHFFFAOYSA-N
XLogP4.42
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-propan-2-yl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112882085
2-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883114
4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883290
2-N-butyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883113
2-N-[4-(dimethylamino)phenyl]-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112906073
2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881881
4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine
CID 112883747
2-N,2-N-diethyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112899225
2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470
2-N-[3-(dimethylamino)propyl]-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112887862
4-N-(4-piperidin-1-ylphenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893631
2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine
CID 112883736

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine (CID 112883773) is 2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine is CCC(C)Nc1nccc(Nc2ccc(N3CCCCC3)cc2)n1.
What is the InChIKey of 2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is LHAHTELTSCWUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-3-15(2)21-19-20-12-11-18(23-19)22-16-7-9-17(10-8-16)24-13-5-4-6-14-24/h7-12,15H,3-6,13-14H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?
2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 325.46 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112883773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).