4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine

C16H23N5O — CID 112856969

IUPAC4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
SMILESCOCCCNc1cc(Nc2ccc(N(C)C)cc2)ncn1
InChIInChI=1S/C16H23N5O/c1-21(2)14-7-5-13(6-8-14)20-16-11-15(18-12-19-16)17-9-4-10-22-3/h5-8,11-12H,4,9-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyUERFSCZNUFZTOA-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.73
Rot. Bonds8

About 4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine

4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine (PubChem CID 112856969) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
PubChem CID112856969
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
SMILESCOCCCNc1cc(Nc2ccc(N(C)C)cc2)ncn1
InChIInChI=1S/C16H23N5O/c1-21(2)14-7-5-13(6-8-14)20-16-11-15(18-12-19-16)17-9-4-10-22-3/h5-8,11-12H,4,9-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyUERFSCZNUFZTOA-UHFFFAOYSA-N
XLogP2.73
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.73
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

6-N-(3-methoxypropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112856959
4-N-(3-bromophenyl)-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
CID 112856981
4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856761
6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 53261247
4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine
CID 112864777
6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112866338
5-N-[4-(dimethylamino)phenyl]-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112943985
4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 80790052
6-N-(3-methoxypropyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855261
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343241
6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343382
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 112860429

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine (CID 112856969) is 4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine is COCCCNc1cc(Nc2ccc(N(C)C)cc2)ncn1.
What is the InChIKey of 4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine?
The InChIKey is UERFSCZNUFZTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-21(2)14-7-5-13(6-8-14)20-16-11-15(18-12-19-16)17-9-4-10-22-3/h5-8,11-12H,4,9-10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine?
4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine has a molecular weight of 301.39 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112856969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).