4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine

C19H27N5 — CID 112909556

IUPAC4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2cc(C)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C19H27N5/c1-4-23(5-2)17-10-8-16(9-11-17)21-18-14-15(3)20-19(22-18)24-12-6-7-13-24/h8-11,14H,4-7,12-13H2,1-3H3,(H,20,21,22)
InChIKeyJYZFKHRUMUNJPF-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.98
Rot. Bonds6

About 4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine

4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine (PubChem CID 112909556) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
PubChem CID112909556
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2cc(C)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C19H27N5/c1-4-23(5-2)17-10-8-16(9-11-17)21-18-14-15(3)20-19(22-18)24-12-6-7-13-24/h8-11,14H,4-7,12-13H2,1-3H3,(H,20,21,22)
InChIKeyJYZFKHRUMUNJPF-UHFFFAOYSA-N
XLogP3.98
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
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

Pyrimethanil
CID 91650
Mepanipyrim
CID 86296
N,N-Dimethyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-benzene-1,4-diamine
CID 741604
2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 948954
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
4-N-ethyl-6-N,1,2-trimethyl-4-N-phenylpyrimidin-1-ium-4,6-diamine;chloride
CID 9796088
1-(4,6-Dimethyl-2-pyrimidinyl)-3-phenylguanidine
CID 9570316
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine (CID 112909556) is 4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine is CCN(CC)c1ccc(Nc2cc(C)nc(N3CCCC3)n2)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine?
The InChIKey is JYZFKHRUMUNJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-4-23(5-2)17-10-8-16(9-11-17)21-18-14-15(3)20-19(22-18)24-12-6-7-13-24/h8-11,14H,4-7,12-13H2,1-3H3,(H,20,21,22).
What are the key properties of 4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine has a molecular weight of 325.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 112909556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).