5,6-dimethyl-N-prop-2-enyl-2-pyrrolidin-1-ylpyrimidin-4-amine

C13H20N4 — CID 134712799

IUPAC5,6-dimethyl-N-prop-2-enyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESC=CCNc1nc(N2CCCC2)nc(C)c1C
InChIInChI=1S/C13H20N4/c1-4-7-14-12-10(2)11(3)15-13(16-12)17-8-5-6-9-17/h4H,1,5-9H2,2-3H3,(H,14,15,16)
InChIKeyJVZZWWWJOPYCJQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.29
Rot. Bonds4

About 5,6-dimethyl-N-prop-2-enyl-2-pyrrolidin-1-ylpyrimidin-4-amine

5,6-dimethyl-N-prop-2-enyl-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 134712799) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 5,6-dimethyl-N-prop-2-enyl-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-prop-2-enyl-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID134712799
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name5,6-dimethyl-N-prop-2-enyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESC=CCNc1nc(N2CCCC2)nc(C)c1C
InChIInChI=1S/C13H20N4/c1-4-7-14-12-10(2)11(3)15-13(16-12)17-8-5-6-9-17/h4H,1,5-9H2,2-3H3,(H,14,15,16)
InChIKeyJVZZWWWJOPYCJQ-UHFFFAOYSA-N
XLogP2.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 50971632
2-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 135100672
N-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine
CID 62746380
5,6-dimethyl-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 134712316
5-(prop-2-enylamino)-6-pyrrolidin-1-ylpyrazine-2,3-dicarbonitrile
CID 10753434
5-ethyl-N,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190547
1-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)-N-methylmethanamine
CID 62745478
N,5,6-trimethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 62192217
(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanamine;hydrochloride
CID 82021870
6-morpholin-4-yl-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 6488389
1-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-3-prop-2-enylurea
CID 45180707
(6-ethyl-5-methyl-2-piperidin-1-ylpyrimidin-4-yl)hydrazine
CID 63561219

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-prop-2-enyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-prop-2-enyl-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 134712799) is 5,6-dimethyl-N-prop-2-enyl-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-prop-2-enyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-prop-2-enyl-2-pyrrolidin-1-ylpyrimidin-4-amine is C=CCNc1nc(N2CCCC2)nc(C)c1C.
What is the InChIKey of 5,6-dimethyl-N-prop-2-enyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is JVZZWWWJOPYCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-4-7-14-12-10(2)11(3)15-13(16-12)17-8-5-6-9-17/h4H,1,5-9H2,2-3H3,(H,14,15,16).
What are the key properties of 5,6-dimethyl-N-prop-2-enyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
5,6-dimethyl-N-prop-2-enyl-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 232.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-prop-2-enyl-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 134712799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).