(1E)-2,2-dimethyl-1-[5-methyl-1-[(Z)-prop-1-enyl]pyrimidin-2-ylidene]propan-1-amine

C13H21N3 — CID 167182561

IUPAC(1E)-2,2-dimethyl-1-[5-methyl-1-[(Z)-prop-1-enyl]pyrimidin-2-ylidene]propan-1-amine
SMILESC/C=C\N1C=C(C)C=N/C1=C(/N)C(C)(C)C
InChIInChI=1S/C13H21N3/c1-6-7-16-9-10(2)8-15-12(16)11(14)13(3,4)5/h6-9H,14H2,1-5H3/b7-6-,12-11-
InChIKeyFYXYJCGMIYIXQB-GWGQYHJVSA-N
MW219.33 g/mol
LogP2.98
Rot. Bonds1

About (1E)-2,2-dimethyl-1-[5-methyl-1-[(Z)-prop-1-enyl]pyrimidin-2-ylidene]propan-1-amine

(1E)-2,2-dimethyl-1-[5-methyl-1-[(Z)-prop-1-enyl]pyrimidin-2-ylidene]propan-1-amine (PubChem CID 167182561) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (1E)-2,2-dimethyl-1-[5-methyl-1-[(Z)-prop-1-enyl]pyrimidin-2-ylidene]propan-1-amine.

Molecular Properties

Compound Name(1E)-2,2-dimethyl-1-[5-methyl-1-[(Z)-prop-1-enyl]pyrimidin-2-ylidene]propan-1-amine
PubChem CID167182561
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(1E)-2,2-dimethyl-1-[5-methyl-1-[(Z)-prop-1-enyl]pyrimidin-2-ylidene]propan-1-amine
SMILESC/C=C\N1C=C(C)C=N/C1=C(/N)C(C)(C)C
InChIInChI=1S/C13H21N3/c1-6-7-16-9-10(2)8-15-12(16)11(14)13(3,4)5/h6-9H,14H2,1-5H3/b7-6-,12-11-
InChIKeyFYXYJCGMIYIXQB-GWGQYHJVSA-N
XLogP2.98
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2E)-1-but-1-en-2-yl-2-ethylidene-5-methylpyrimidine;ethane
CID 172391037
(Z)-2-[1-(dimethylamino)ethenyliminomethyl]but-1-en-1-amine
CID 173472408
7-tert-butyl-3-methyl-9aH-pyrazino[1,2-a]pyrimidine
CID 177123931
(5-Ethyl-1-methylpyrimidin-2-ylidene)methanimine
CID 23423842
(2E)-1-but-1-en-2-yl-2-ethylidene-5-methylpyrimidine
CID 172391038

Frequently Asked Questions

What is the IUPAC name of (1E)-2,2-dimethyl-1-[5-methyl-1-[(Z)-prop-1-enyl]pyrimidin-2-ylidene]propan-1-amine?
The IUPAC name of (1E)-2,2-dimethyl-1-[5-methyl-1-[(Z)-prop-1-enyl]pyrimidin-2-ylidene]propan-1-amine (CID 167182561) is (1E)-2,2-dimethyl-1-[5-methyl-1-[(Z)-prop-1-enyl]pyrimidin-2-ylidene]propan-1-amine.
What is the SMILES notation for (1E)-2,2-dimethyl-1-[5-methyl-1-[(Z)-prop-1-enyl]pyrimidin-2-ylidene]propan-1-amine?
The canonical SMILES for (1E)-2,2-dimethyl-1-[5-methyl-1-[(Z)-prop-1-enyl]pyrimidin-2-ylidene]propan-1-amine is C/C=C\N1C=C(C)C=N/C1=C(/N)C(C)(C)C.
What is the InChIKey of (1E)-2,2-dimethyl-1-[5-methyl-1-[(Z)-prop-1-enyl]pyrimidin-2-ylidene]propan-1-amine?
The InChIKey is FYXYJCGMIYIXQB-GWGQYHJVSA-N. The full InChI is InChI=1S/C13H21N3/c1-6-7-16-9-10(2)8-15-12(16)11(14)13(3,4)5/h6-9H,14H2,1-5H3/b7-6-,12-11-.
What are the key properties of (1E)-2,2-dimethyl-1-[5-methyl-1-[(Z)-prop-1-enyl]pyrimidin-2-ylidene]propan-1-amine?
(1E)-2,2-dimethyl-1-[5-methyl-1-[(Z)-prop-1-enyl]pyrimidin-2-ylidene]propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2,2-dimethyl-1-[5-methyl-1-[(Z)-prop-1-enyl]pyrimidin-2-ylidene]propan-1-amine is sourced from PubChem (CID 167182561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).