(6S)-6-[5-(cyclopentylamino)-2-fluorophenyl]-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine

C19H29FN4 — CID 141320547

IUPAC(6S)-6-[5-(cyclopentylamino)-2-fluorophenyl]-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine
SMILESCN1CC(C)(C)[C@@](C)(c2cc(NC3CCCC3)ccc2F)N=C1N
InChIInChI=1S/C19H29FN4/c1-18(2)12-24(4)17(21)23-19(18,3)15-11-14(9-10-16(15)20)22-13-7-5-6-8-13/h9-11,13,22H,5-8,12H2,1-4H3,(H2,21,23)/t19-/m1/s1
InChIKeyYEWUVRUJRSOYDL-LJQANCHMSA-N
MW332.47 g/mol
LogP3.68
Rot. Bonds3

About (6S)-6-[5-(cyclopentylamino)-2-fluorophenyl]-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine

(6S)-6-[5-(cyclopentylamino)-2-fluorophenyl]-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine (PubChem CID 141320547) has the molecular formula C19H29FN4 and a molecular weight of 332.47 g/mol. Its IUPAC name is (6S)-6-[5-(cyclopentylamino)-2-fluorophenyl]-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name(6S)-6-[5-(cyclopentylamino)-2-fluorophenyl]-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine
PubChem CID141320547
Molecular FormulaC19H29FN4
Molecular Weight332.47 g/mol
Exact Mass332.24
IUPAC Name(6S)-6-[5-(cyclopentylamino)-2-fluorophenyl]-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine
SMILESCN1CC(C)(C)[C@@](C)(c2cc(NC3CCCC3)ccc2F)N=C1N
InChIInChI=1S/C19H29FN4/c1-18(2)12-24(4)17(21)23-19(18,3)15-11-14(9-10-16(15)20)22-13-7-5-6-8-13/h9-11,13,22H,5-8,12H2,1-4H3,(H2,21,23)/t19-/m1/s1
InChIKeyYEWUVRUJRSOYDL-LJQANCHMSA-N
XLogP3.68
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-6-(5-anilino-2-fluorophenyl)-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine
CID 141320536
2-amino-6-[2-fluoro-5-(oxetan-3-ylamino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 66727533
(5R,6R)-5-[5-(cyclopentylamino)-2-fluorophenyl]-6-fluoro-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine
CID 54577799
1-N-cyclopentyl-4-fluorobenzene-1,3-diamine
CID 82933776
(6S)-2-amino-6-[5-[(1-benzylpiperidin-3-yl)amino]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 57497064
4-N-cyclopentyl-2-methylbenzene-1,4-diamine
CID 43436194
N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-cyclobutylacetamide
CID 66727509
(2R)-6-[5-(cyclobutylamino)-2-fluorophenyl]-6-methylmorpholin-2-amine
CID 70557748
3-chloro-N-cyclopentyl-4-fluoroaniline
CID 28938400
4-N-cyclohexyl-2-methylbenzene-1,4-diamine
CID 43436188
(5R,6R)-6-fluoro-5-[2-fluoro-5-(oxan-4-ylamino)phenyl]-5-methyl-6,7-dihydro-2H-1,4-oxazepin-3-amine
CID 66547316
2-amino-6-[5-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 66727648

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[5-(cyclopentylamino)-2-fluorophenyl]-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine?
The IUPAC name of (6S)-6-[5-(cyclopentylamino)-2-fluorophenyl]-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine (CID 141320547) is (6S)-6-[5-(cyclopentylamino)-2-fluorophenyl]-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine.
What is the SMILES notation for (6S)-6-[5-(cyclopentylamino)-2-fluorophenyl]-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine?
The canonical SMILES for (6S)-6-[5-(cyclopentylamino)-2-fluorophenyl]-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine is CN1CC(C)(C)[C@@](C)(c2cc(NC3CCCC3)ccc2F)N=C1N.
What is the InChIKey of (6S)-6-[5-(cyclopentylamino)-2-fluorophenyl]-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine?
The InChIKey is YEWUVRUJRSOYDL-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29FN4/c1-18(2)12-24(4)17(21)23-19(18,3)15-11-14(9-10-16(15)20)22-13-7-5-6-8-13/h9-11,13,22H,5-8,12H2,1-4H3,(H2,21,23)/t19-/m1/s1.
What are the key properties of (6S)-6-[5-(cyclopentylamino)-2-fluorophenyl]-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine?
(6S)-6-[5-(cyclopentylamino)-2-fluorophenyl]-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine has a molecular weight of 332.47 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[5-(cyclopentylamino)-2-fluorophenyl]-3,5,5,6-tetramethyl-4H-pyrimidin-2-amine is sourced from PubChem (CID 141320547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).