2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine

C17H25ClF3N3 — CID 150346047

IUPAC2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine
SMILESFC(F)(F)CCCCCCCCCc1cnc(Cl)nc1NC1CC1
InChIInChI=1S/C17H25ClF3N3/c18-16-22-12-13(15(24-16)23-14-9-10-14)8-6-4-2-1-3-5-7-11-17(19,20)21/h12,14H,1-11H2,(H,22,23,24)
InChIKeyGSSRFJYHBOOBQC-UHFFFAOYSA-N
MW363.86 g/mol
LogP5.93
Rot. Bonds11

About 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine

2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine (PubChem CID 150346047) has the molecular formula C17H25ClF3N3 and a molecular weight of 363.86 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine
PubChem CID150346047
Molecular FormulaC17H25ClF3N3
Molecular Weight363.86 g/mol
Exact Mass363.17
IUPAC Name2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine
SMILESFC(F)(F)CCCCCCCCCc1cnc(Cl)nc1NC1CC1
InChIInChI=1S/C17H25ClF3N3/c18-16-22-12-13(15(24-16)23-14-9-10-14)8-6-4-2-1-3-5-7-11-17(19,20)21/h12,14H,1-11H2,(H,22,23,24)
InChIKeyGSSRFJYHBOOBQC-UHFFFAOYSA-N
XLogP5.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.86
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclopropyl-5-(difluoromethyl)pyrimidin-4-amine
CID 169118139
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
4-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,4-diamine
CID 89143426
2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine
CID 59210379
2-chloro-N-cyclopropyl-5-(trifluoromethyl)pyrimidin-4-amine;4-N-cyclopropyl-2-N-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 118905687
2,5-dichloro-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79632100
[2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone
CID 162245679
N-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine
CID 53385527
2-chloro-N-(1,1-dioxothian-4-yl)-5-fluoropyrimidin-4-amine
CID 79080718
2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine
CID 146275528
5-bromo-2-chloro-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79073107

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine (CID 150346047) is 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine is FC(F)(F)CCCCCCCCCc1cnc(Cl)nc1NC1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine?
The InChIKey is GSSRFJYHBOOBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClF3N3/c18-16-22-12-13(15(24-16)23-14-9-10-14)8-6-4-2-1-3-5-7-11-17(19,20)21/h12,14H,1-11H2,(H,22,23,24).
What are the key properties of 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine?
2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine has a molecular weight of 363.86 g/mol, XLogP of 5.93, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine is sourced from PubChem (CID 150346047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).