6-butyl-4-N-ethyl-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine

C17H24N4O — CID 44526614

IUPAC6-butyl-4-N-ethyl-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCCCCc1cc(NCC)nc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C17H24N4O/c1-4-6-8-14-12-16(18-5-2)21-17(20-14)19-13-9-7-10-15(11-13)22-3/h7,9-12H,4-6,8H2,1-3H3,(H2,18,19,20,21)
InChIKeyMOGAVRMFLRZQDV-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.00
Rot. Bonds8

About 6-butyl-4-N-ethyl-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine

6-butyl-4-N-ethyl-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 44526614) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 6-butyl-4-N-ethyl-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-butyl-4-N-ethyl-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID44526614
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name6-butyl-4-N-ethyl-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCCCCc1cc(NCC)nc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C17H24N4O/c1-4-6-8-14-12-16(18-5-2)21-17(20-14)19-13-9-7-10-15(11-13)22-3/h7,9-12H,4-6,8H2,1-3H3,(H2,18,19,20,21)
InChIKeyMOGAVRMFLRZQDV-UHFFFAOYSA-N
XLogP4.00
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-4-N-ethyl-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-butyl-4-N-ethyl-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine (CID 44526614) is 6-butyl-4-N-ethyl-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-butyl-4-N-ethyl-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-butyl-4-N-ethyl-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine is CCCCc1cc(NCC)nc(Nc2cccc(OC)c2)n1.
What is the InChIKey of 6-butyl-4-N-ethyl-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is MOGAVRMFLRZQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-6-8-14-12-16(18-5-2)21-17(20-14)19-13-9-7-10-15(11-13)22-3/h7,9-12H,4-6,8H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 6-butyl-4-N-ethyl-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine?
6-butyl-4-N-ethyl-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 300.41 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4-N-ethyl-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 44526614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).