6-N-[3-(dimethylamino)propyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine

C17H25N5O — CID 112857735

IUPAC6-N-[3-(dimethylamino)propyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(NCCCN(C)C)ncn2)cc1
InChIInChI=1S/C17H25N5O/c1-22(2)10-4-9-18-16-11-17(21-13-20-16)19-12-14-5-7-15(23-3)8-6-14/h5-8,11,13H,4,9-10,12H2,1-3H3,(H2,18,19,20,21)
InChIKeyFPHNPABXBQPPGV-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.46
Rot. Bonds9

About 6-N-[3-(dimethylamino)propyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine

6-N-[3-(dimethylamino)propyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112857735) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-N-[3-(dimethylamino)propyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[3-(dimethylamino)propyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112857735
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name6-N-[3-(dimethylamino)propyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(NCCCN(C)C)ncn2)cc1
InChIInChI=1S/C17H25N5O/c1-22(2)10-4-9-18-16-11-17(21-13-20-16)19-12-14-5-7-15(23-3)8-6-14/h5-8,11,13H,4,9-10,12H2,1-3H3,(H2,18,19,20,21)
InChIKeyFPHNPABXBQPPGV-UHFFFAOYSA-N
XLogP2.46
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-N-[2-(dimethylamino)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112857387
6-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109344701
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860204
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860212
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958
6-N-[2-(4-fluorophenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860201
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861690
6-N-[2-(dimethylamino)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112857392
5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109277919
4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870518
4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112857775
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4,6-diamine
CID 112860359

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-(dimethylamino)propyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[3-(dimethylamino)propyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine (CID 112857735) is 6-N-[3-(dimethylamino)propyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[3-(dimethylamino)propyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[3-(dimethylamino)propyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine is COc1ccc(CNc2cc(NCCCN(C)C)ncn2)cc1.
What is the InChIKey of 6-N-[3-(dimethylamino)propyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is FPHNPABXBQPPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-22(2)10-4-9-18-16-11-17(21-13-20-16)19-12-14-5-7-15(23-3)8-6-14/h5-8,11,13H,4,9-10,12H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 6-N-[3-(dimethylamino)propyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine?
6-N-[3-(dimethylamino)propyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 315.42 g/mol, XLogP of 2.46, 9 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-methoxyphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112857735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).