N-(3-fluorobutyl)-4-methylpyrimidin-2-amine

C9H14FN3 — CID 130637741

IUPACN-(3-fluorobutyl)-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCC(C)F)n1
InChIInChI=1S/C9H14FN3/c1-7(10)3-5-11-9-12-6-4-8(2)13-9/h4,6-7H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyFVMHKRORDMDPHZ-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.95
Rot. Bonds4

About N-(3-fluorobutyl)-4-methylpyrimidin-2-amine

N-(3-fluorobutyl)-4-methylpyrimidin-2-amine (PubChem CID 130637741) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is N-(3-fluorobutyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-fluorobutyl)-4-methylpyrimidin-2-amine
PubChem CID130637741
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC NameN-(3-fluorobutyl)-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCC(C)F)n1
InChIInChI=1S/C9H14FN3/c1-7(10)3-5-11-9-12-6-4-8(2)13-9/h4,6-7H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyFVMHKRORDMDPHZ-UHFFFAOYSA-N
XLogP1.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoropropyl)-4-methylpyrimidin-2-amine
CID 130504329
1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol
CID 62958560
N-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine
CID 133474574
tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate
CID 97214902
4-methyl-N-octylpyrimidin-2-amine
CID 115568939
3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine
CID 117044287
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 55152107
4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine
CID 115637231
4-methyl-N-pent-3-ynylpyrimidin-2-amine
CID 116644591
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62959074
4-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pyrimidin-2-amine
CID 133309879
N-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide
CID 55152673

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorobutyl)-4-methylpyrimidin-2-amine?
The IUPAC name of N-(3-fluorobutyl)-4-methylpyrimidin-2-amine (CID 130637741) is N-(3-fluorobutyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-(3-fluorobutyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for N-(3-fluorobutyl)-4-methylpyrimidin-2-amine is Cc1ccnc(NCCC(C)F)n1.
What is the InChIKey of N-(3-fluorobutyl)-4-methylpyrimidin-2-amine?
The InChIKey is FVMHKRORDMDPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-7(10)3-5-11-9-12-6-4-8(2)13-9/h4,6-7H,3,5H2,1-2H3,(H,11,12,13).
What are the key properties of N-(3-fluorobutyl)-4-methylpyrimidin-2-amine?
N-(3-fluorobutyl)-4-methylpyrimidin-2-amine has a molecular weight of 183.23 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorobutyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 130637741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).