4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine

C16H21N5 — CID 112855770

IUPAC4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2cc(N3CCCC3)ncn2)cc1
InChIInChI=1S/C16H21N5/c1-20(2)14-7-5-13(6-8-14)19-15-11-16(18-12-17-15)21-9-3-4-10-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,17,18,19)
InChIKeyQCGTXOLZBNDNPZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.89
Rot. Bonds4

About 4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine (PubChem CID 112855770) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
PubChem CID112855770
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2cc(N3CCCC3)ncn2)cc1
InChIInChI=1S/C16H21N5/c1-20(2)14-7-5-13(6-8-14)19-15-11-16(18-12-17-15)21-9-3-4-10-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,17,18,19)
InChIKeyQCGTXOLZBNDNPZ-UHFFFAOYSA-N
XLogP2.89
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.89
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

1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 122282330
N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282462
4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine
CID 112864777
4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 80790052
1,3-dimethyl-5-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzimidazol-2-one
CID 22433058
2-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-benzothiazol-5-amine
CID 122282312
N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862245
6-(azepan-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112864677
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282279
N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968384
N-[3-[[6-(azepan-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864653
5-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
CID 22432880

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine (CID 112855770) is 4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine is CN(C)c1ccc(Nc2cc(N3CCCC3)ncn2)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine?
The InChIKey is QCGTXOLZBNDNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-20(2)14-7-5-13(6-8-14)19-15-11-16(18-12-17-15)21-9-3-4-10-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine has a molecular weight of 283.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 112855770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).