4-N-[(4-fluorophenyl)methyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine

C17H21FN4O — CID 112912596

IUPAC4-N-[(4-fluorophenyl)methyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccc(F)cc2)nc(NCC2CCCO2)n1
InChIInChI=1S/C17H21FN4O/c1-12-9-16(19-10-13-4-6-14(18)7-5-13)22-17(21-12)20-11-15-3-2-8-23-15/h4-7,9,15H,2-3,8,10-11H2,1H3,(H2,19,20,21,22)
InChIKeyQTGABCPOUCAJIS-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.13
Rot. Bonds6

About 4-N-[(4-fluorophenyl)methyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine

4-N-[(4-fluorophenyl)methyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112912596) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-N-[(4-fluorophenyl)methyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-fluorophenyl)methyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112912596
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name4-N-[(4-fluorophenyl)methyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccc(F)cc2)nc(NCC2CCCO2)n1
InChIInChI=1S/C17H21FN4O/c1-12-9-16(19-10-13-4-6-14(18)7-5-13)22-17(21-12)20-11-15-3-2-8-23-15/h4-7,9,15H,2-3,8,10-11H2,1H3,(H2,19,20,21,22)
InChIKeyQTGABCPOUCAJIS-UHFFFAOYSA-N
XLogP3.13
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912428
2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912417
6-methyl-4-N-[(3-methylphenyl)methyl]-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912591
6-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912410
2-N-[(4-fluorophenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916340
2-N-cyclopropyl-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112907551
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912581
6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112912645
4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935698
6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912422
4-N-(4-chloro-2-methylphenyl)-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912686
4-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912611

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-fluorophenyl)methyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-fluorophenyl)methyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine (CID 112912596) is 4-N-[(4-fluorophenyl)methyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-fluorophenyl)methyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-fluorophenyl)methyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine is Cc1cc(NCc2ccc(F)cc2)nc(NCC2CCCO2)n1.
What is the InChIKey of 4-N-[(4-fluorophenyl)methyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is QTGABCPOUCAJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-12-9-16(19-10-13-4-6-14(18)7-5-13)22-17(21-12)20-11-15-3-2-8-23-15/h4-7,9,15H,2-3,8,10-11H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-[(4-fluorophenyl)methyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-[(4-fluorophenyl)methyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 316.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-fluorophenyl)methyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112912596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).