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

C12H16N3Rf- — CID 145462184

IUPAC(4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine;rutherfordium
SMILESC=C1C[C@@](C)(C2=C[C-]=CC2)N=C(N)N1C.[Rf]
InChIInChI=1S/C12H16N3.Rf/c1-9-8-12(2,10-6-4-5-7-10)14-11(13)15(9)3;/h4,7H,1,6,8H2,2-3H3,(H2,13,14);/q-1;/t12-;/m0./s1
InChIKeyGMSXPJCTFSQUAQ-YDALLXLXSA-N
MW469.28 g/mol
LogP1.60
Rot. Bonds1

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

(4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine;rutherfordium (PubChem CID 145462184) has the molecular formula C12H16N3Rf- and a molecular weight of 469.28 g/mol. Its IUPAC name is (4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine;rutherfordium.

Molecular Properties

Compound Name(4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine;rutherfordium
PubChem CID145462184
Molecular FormulaC12H16N3Rf-
Molecular Weight469.28 g/mol
Exact Mass469.26
IUPAC Name(4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine;rutherfordium
SMILESC=C1C[C@@](C)(C2=C[C-]=CC2)N=C(N)N1C.[Rf]
InChIInChI=1S/C12H16N3.Rf/c1-9-8-12(2,10-6-4-5-7-10)14-11(13)15(9)3;/h4,7H,1,6,8H2,2-3H3,(H2,13,14);/q-1;/t12-;/m0./s1
InChIKeyGMSXPJCTFSQUAQ-YDALLXLXSA-N
XLogP1.60
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine;rutherfordium with MolForge

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Related Compounds

3-Propyl-5,6,6a,7-tetrahydroperimidin-2-amine
CID 89636909
4-Methylidene-7-propan-2-yl-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine
CID 118446168
ethane;4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine
CID 145461577
4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine
CID 145461578
(4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine
CID 145462185

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;rutherfordium?
The IUPAC name of (4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine;rutherfordium (CID 145462184) is (4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine;rutherfordium.
What is the SMILES notation for (4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine;rutherfordium?
The canonical SMILES for (4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine;rutherfordium is C=C1C[C@@](C)(C2=C[C-]=CC2)N=C(N)N1C.[Rf].
What is the InChIKey of (4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine;rutherfordium?
The InChIKey is GMSXPJCTFSQUAQ-YDALLXLXSA-N. The full InChI is InChI=1S/C12H16N3.Rf/c1-9-8-12(2,10-6-4-5-7-10)14-11(13)15(9)3;/h4,7H,1,6,8H2,2-3H3,(H2,13,14);/q-1;/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;rutherfordium?
(4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine;rutherfordium has a molecular weight of 469.28 g/mol, XLogP of 1.60, 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;rutherfordium is sourced from PubChem (CID 145462184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).