N-butan-2-yl-N-(3,3-dimethylbutyl)-4-ethyl-5-fluoropyrimidin-2-amine

C16H28FN3 — CID 18735766

IUPACN-butan-2-yl-N-(3,3-dimethylbutyl)-4-ethyl-5-fluoropyrimidin-2-amine
SMILESCCc1nc(N(CCC(C)(C)C)C(C)CC)ncc1F
InChIInChI=1S/C16H28FN3/c1-7-12(3)20(10-9-16(4,5)6)15-18-11-13(17)14(8-2)19-15/h11-12H,7-10H2,1-6H3
InChIKeyPPZAWLRFGJXXGT-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.22
Rot. Bonds6

About N-butan-2-yl-N-(3,3-dimethylbutyl)-4-ethyl-5-fluoropyrimidin-2-amine

N-butan-2-yl-N-(3,3-dimethylbutyl)-4-ethyl-5-fluoropyrimidin-2-amine (PubChem CID 18735766) has the molecular formula C16H28FN3 and a molecular weight of 281.42 g/mol. Its IUPAC name is N-butan-2-yl-N-(3,3-dimethylbutyl)-4-ethyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-(3,3-dimethylbutyl)-4-ethyl-5-fluoropyrimidin-2-amine
PubChem CID18735766
Molecular FormulaC16H28FN3
Molecular Weight281.42 g/mol
Exact Mass281.23
IUPAC NameN-butan-2-yl-N-(3,3-dimethylbutyl)-4-ethyl-5-fluoropyrimidin-2-amine
SMILESCCc1nc(N(CCC(C)(C)C)C(C)CC)ncc1F
InChIInChI=1S/C16H28FN3/c1-7-12(3)20(10-9-16(4,5)6)15-18-11-13(17)14(8-2)19-15/h11-12H,7-10H2,1-6H3
InChIKeyPPZAWLRFGJXXGT-UHFFFAOYSA-N
XLogP4.22
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(3,3-dimethylbutyl)-4-ethyl-5-fluoropyrimidin-2-amine?
The IUPAC name of N-butan-2-yl-N-(3,3-dimethylbutyl)-4-ethyl-5-fluoropyrimidin-2-amine (CID 18735766) is N-butan-2-yl-N-(3,3-dimethylbutyl)-4-ethyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-butan-2-yl-N-(3,3-dimethylbutyl)-4-ethyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-butan-2-yl-N-(3,3-dimethylbutyl)-4-ethyl-5-fluoropyrimidin-2-amine is CCc1nc(N(CCC(C)(C)C)C(C)CC)ncc1F.
What is the InChIKey of N-butan-2-yl-N-(3,3-dimethylbutyl)-4-ethyl-5-fluoropyrimidin-2-amine?
The InChIKey is PPZAWLRFGJXXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FN3/c1-7-12(3)20(10-9-16(4,5)6)15-18-11-13(17)14(8-2)19-15/h11-12H,7-10H2,1-6H3.
What are the key properties of N-butan-2-yl-N-(3,3-dimethylbutyl)-4-ethyl-5-fluoropyrimidin-2-amine?
N-butan-2-yl-N-(3,3-dimethylbutyl)-4-ethyl-5-fluoropyrimidin-2-amine has a molecular weight of 281.42 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(3,3-dimethylbutyl)-4-ethyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 18735766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).