4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine

C16H21FN4 — CID 112883509

IUPAC4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESCCC(C)Nc1ccnc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C16H21FN4/c1-3-12(2)20-15-9-11-19-16(21-15)18-10-8-13-4-6-14(17)7-5-13/h4-7,9,11-12H,3,8,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyMFENJTXVZMBTPA-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.48
Rot. Bonds7

About 4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine

4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 112883509) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID112883509
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESCCC(C)Nc1ccnc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C16H21FN4/c1-3-12(2)20-15-9-11-19-16(21-15)18-10-8-13-4-6-14(17)7-5-13/h4-7,9,11-12H,3,8,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyMFENJTXVZMBTPA-UHFFFAOYSA-N
XLogP3.48
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butan-2-yl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112883512
4-N-[2-(4-fluorophenyl)ethyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883371
4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112883545
N-butan-2-yl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109297311
2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 55152107
2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882002
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893666
2-N-tert-butyl-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894693
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112894692
2-N-butan-2-yl-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112883701
4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112883503

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine (CID 112883509) is 4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine is CCC(C)Nc1ccnc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of 4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is MFENJTXVZMBTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-3-12(2)20-15-9-11-19-16(21-15)18-10-8-13-4-6-14(17)7-5-13/h4-7,9,11-12H,3,8,10H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112883509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).