(5E)-N,N,2-trimethyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidin-4-amine

C13H19N3 — CID 142229877

IUPAC(5E)-N,N,2-trimethyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidin-4-amine
SMILESC=c1nc(C)nc(N(C)C)/c1=C/C=C\CC
InChIInChI=1S/C13H19N3/c1-6-7-8-9-12-10(2)14-11(3)15-13(12)16(4)5/h7-9H,2,6H2,1,3-5H3/b8-7-,12-9+
InChIKeyIQARHJZYPAWKNS-HVTAIUIQSA-N
MW217.32 g/mol
LogP1.01
Rot. Bonds3

About (5E)-N,N,2-trimethyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidin-4-amine

(5E)-N,N,2-trimethyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidin-4-amine (PubChem CID 142229877) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (5E)-N,N,2-trimethyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidin-4-amine.

Molecular Properties

Compound Name(5E)-N,N,2-trimethyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidin-4-amine
PubChem CID142229877
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(5E)-N,N,2-trimethyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidin-4-amine
SMILESC=c1nc(C)nc(N(C)C)/c1=C/C=C\CC
InChIInChI=1S/C13H19N3/c1-6-7-8-9-12-10(2)14-11(3)15-13(12)16(4)5/h7-9H,2,6H2,1,3-5H3/b8-7-,12-9+
InChIKeyIQARHJZYPAWKNS-HVTAIUIQSA-N
XLogP1.01
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

lithium N,N,2,4-tetramethyl-3H-pyridin-3-id-6-amine
CID 134971132
(5Z,7Z)-2-cyclohexa-1,3-dien-1-yl-1-methyl-4-methylidene-1,3-diazocine
CID 68215789
(7Z)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methyl-4-methylidene-5,6-dihydro-1,3-diazocine
CID 89053548
2-N,2-N,4-N,4-N-tetramethyl-6,7-dihydroquinazoline-2,4-diamine
CID 89468396
N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide
CID 91526316
1-ethenyl-N,5-dimethylpyridin-2-imine
CID 122691861
1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine
CID 123161013
N-[(5E)-5,6-di(ethylidene)pyrimidin-4-yl]pent-1-en-3-imine
CID 123454928
N-methyl-1-(5-methyl-2-methylidene-1-pyridinyl)propan-1-imine
CID 130374044
1-[3,4-bis(methylimino)cyclohexa-1,5-dien-1-yl]-N,N-dimethylethenamine
CID 132039809
3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine
CID 134557797
N,1-bis(ethenyl)-5-methylpyridin-2-imine
CID 139527751

Frequently Asked Questions

What is the IUPAC name of (5E)-N,N,2-trimethyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidin-4-amine?
The IUPAC name of (5E)-N,N,2-trimethyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidin-4-amine (CID 142229877) is (5E)-N,N,2-trimethyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidin-4-amine.
What is the SMILES notation for (5E)-N,N,2-trimethyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidin-4-amine?
The canonical SMILES for (5E)-N,N,2-trimethyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidin-4-amine is C=c1nc(C)nc(N(C)C)/c1=C/C=C\CC.
What is the InChIKey of (5E)-N,N,2-trimethyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidin-4-amine?
The InChIKey is IQARHJZYPAWKNS-HVTAIUIQSA-N. The full InChI is InChI=1S/C13H19N3/c1-6-7-8-9-12-10(2)14-11(3)15-13(12)16(4)5/h7-9H,2,6H2,1,3-5H3/b8-7-,12-9+.
What are the key properties of (5E)-N,N,2-trimethyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidin-4-amine?
(5E)-N,N,2-trimethyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidin-4-amine has a molecular weight of 217.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N,N,2-trimethyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidin-4-amine is sourced from PubChem (CID 142229877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).