6-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine

C21H32N6 — CID 112857855

IUPAC6-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
SMILESCC1CCN(c2ccc(Nc3cc(NCCCN(C)C)ncn3)cc2)CC1
InChIInChI=1S/C21H32N6/c1-17-9-13-27(14-10-17)19-7-5-18(6-8-19)25-21-15-20(23-16-24-21)22-11-4-12-26(2)3/h5-8,15-17H,4,9-14H2,1-3H3,(H2,22,23,24,25)
InChIKeyNGQKEPBNSLTCRI-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.82
Rot. Bonds8

About 6-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine

6-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine (PubChem CID 112857855) has the molecular formula C21H32N6 and a molecular weight of 368.53 g/mol. Its IUPAC name is 6-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
PubChem CID112857855
Molecular FormulaC21H32N6
Molecular Weight368.53 g/mol
Exact Mass368.27
IUPAC Name6-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
SMILESCC1CCN(c2ccc(Nc3cc(NCCCN(C)C)ncn3)cc2)CC1
InChIInChI=1S/C21H32N6/c1-17-9-13-27(14-10-17)19-7-5-18(6-8-19)25-21-15-20(23-16-24-21)22-11-4-12-26(2)3/h5-8,15-17H,4,9-14H2,1-3H3,(H2,22,23,24,25)
InChIKeyNGQKEPBNSLTCRI-UHFFFAOYSA-N
XLogP3.82
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112887864
6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112855212
6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857798
5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
CID 109186215
2-N-[3-(dimethylamino)propyl]-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112887862
N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109344367
6-N-[3-(dimethylamino)propyl]-4-N-(3,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857799
4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112857881
4-N-cyclopropyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112854689
4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 112857465
6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109343244
6-N-[3-(dimethylamino)propyl]-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112857808

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine (CID 112857855) is 6-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine is CC1CCN(c2ccc(Nc3cc(NCCCN(C)C)ncn3)cc2)CC1.
What is the InChIKey of 6-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is NGQKEPBNSLTCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6/c1-17-9-13-27(14-10-17)19-7-5-18(6-8-19)25-21-15-20(23-16-24-21)22-11-4-12-26(2)3/h5-8,15-17H,4,9-14H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 6-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine?
6-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 368.53 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112857855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).