N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine

C9H18FN3 — CID 130513115

IUPACN-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
SMILESCC1(C)CN=C(NCCCF)NC1
InChIInChI=1S/C9H18FN3/c1-9(2)6-12-8(13-7-9)11-5-3-4-10/h3-7H2,1-2H3,(H2,11,12,13)
InChIKeyGXNBKWVOJOKTAF-UHFFFAOYSA-N
MW187.26 g/mol
LogP0.92
Rot. Bonds3

About N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine

N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine (PubChem CID 130513115) has the molecular formula C9H18FN3 and a molecular weight of 187.26 g/mol. Its IUPAC name is N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
PubChem CID130513115
Molecular FormulaC9H18FN3
Molecular Weight187.26 g/mol
Exact Mass187.15
IUPAC NameN-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
SMILESCC1(C)CN=C(NCCCF)NC1
InChIInChI=1S/C9H18FN3/c1-9(2)6-12-8(13-7-9)11-5-3-4-10/h3-7H2,1-2H3,(H2,11,12,13)
InChIKeyGXNBKWVOJOKTAF-UHFFFAOYSA-N
XLogP0.92
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The IUPAC name of N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine (CID 130513115) is N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine.
What is the SMILES notation for N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The canonical SMILES for N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine is CC1(C)CN=C(NCCCF)NC1.
What is the InChIKey of N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The InChIKey is GXNBKWVOJOKTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN3/c1-9(2)6-12-8(13-7-9)11-5-3-4-10/h3-7H2,1-2H3,(H2,11,12,13).
What are the key properties of N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine has a molecular weight of 187.26 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine is sourced from PubChem (CID 130513115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).