(4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine

C12H17N3 — CID 145462185

IUPAC(4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine
SMILESC=C1C[C@@](C)(C2=CC=CC2)N=C(N)N1C
InChIInChI=1S/C12H17N3/c1-9-8-12(2,10-6-4-5-7-10)14-11(13)15(9)3/h4-6H,1,7-8H2,2-3H3,(H2,13,14)/t12-/m0/s1
InChIKeyKLJICXKPCSSZEL-LBPRGKRZSA-N
MW203.29 g/mol
LogP1.80
Rot. Bonds1

About (4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine

(4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine (PubChem CID 145462185) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine.

Molecular Properties

Compound Name(4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine
PubChem CID145462185
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine
SMILESC=C1C[C@@](C)(C2=CC=CC2)N=C(N)N1C
InChIInChI=1S/C12H17N3/c1-9-8-12(2,10-6-4-5-7-10)14-11(13)15(9)3/h4-6H,1,7-8H2,2-3H3,(H2,13,14)/t12-/m0/s1
InChIKeyKLJICXKPCSSZEL-LBPRGKRZSA-N
XLogP1.80
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Propyl-5,6,6a,7-tetrahydroperimidin-2-amine
CID 89636909
(4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine;rutherfordium
CID 145462184
4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine
CID 145461578

Frequently Asked Questions

What is the IUPAC name of (4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine?
The IUPAC name of (4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine (CID 145462185) is (4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine.
What is the SMILES notation for (4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine?
The canonical SMILES for (4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine is C=C1C[C@@](C)(C2=CC=CC2)N=C(N)N1C.
What is the InChIKey of (4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine?
The InChIKey is KLJICXKPCSSZEL-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17N3/c1-9-8-12(2,10-6-4-5-7-10)14-11(13)15(9)3/h4-6H,1,7-8H2,2-3H3,(H2,13,14)/t12-/m0/s1.
What are the key properties of (4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine?
(4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine has a molecular weight of 203.29 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine is sourced from PubChem (CID 145462185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).