(5E,6E)-N-propan-2-yl-5,6-bis(prop-2-enylidene)pyrimidin-4-amine

C13H17N3 — CID 134558396

IUPAC(5E,6E)-N-propan-2-yl-5,6-bis(prop-2-enylidene)pyrimidin-4-amine
SMILESC=C/C=c1/ncnc(NC(C)C)/c1=C/C=C
InChIInChI=1S/C13H17N3/c1-5-7-11-12(8-6-2)14-9-15-13(11)16-10(3)4/h5-10H,1-2H2,3-4H3,(H,14,15,16)/b11-7+,12-8+
InChIKeyZCZANVCASUMHII-MKICQXMISA-N
MW215.30 g/mol
LogP1.23
Rot. Bonds4

About (5E,6E)-N-propan-2-yl-5,6-bis(prop-2-enylidene)pyrimidin-4-amine

(5E,6E)-N-propan-2-yl-5,6-bis(prop-2-enylidene)pyrimidin-4-amine (PubChem CID 134558396) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is (5E,6E)-N-propan-2-yl-5,6-bis(prop-2-enylidene)pyrimidin-4-amine.

Molecular Properties

Compound Name(5E,6E)-N-propan-2-yl-5,6-bis(prop-2-enylidene)pyrimidin-4-amine
PubChem CID134558396
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name(5E,6E)-N-propan-2-yl-5,6-bis(prop-2-enylidene)pyrimidin-4-amine
SMILESC=C/C=c1/ncnc(NC(C)C)/c1=C/C=C
InChIInChI=1S/C13H17N3/c1-5-7-11-12(8-6-2)14-9-15-13(11)16-10(3)4/h5-10H,1-2H2,3-4H3,(H,14,15,16)/b11-7+,12-8+
InChIKeyZCZANVCASUMHII-MKICQXMISA-N
XLogP1.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5E,6E)-N-propan-2-yl-5,6-bis(prop-2-enylidene)pyrimidin-4-amine?
The IUPAC name of (5E,6E)-N-propan-2-yl-5,6-bis(prop-2-enylidene)pyrimidin-4-amine (CID 134558396) is (5E,6E)-N-propan-2-yl-5,6-bis(prop-2-enylidene)pyrimidin-4-amine.
What is the SMILES notation for (5E,6E)-N-propan-2-yl-5,6-bis(prop-2-enylidene)pyrimidin-4-amine?
The canonical SMILES for (5E,6E)-N-propan-2-yl-5,6-bis(prop-2-enylidene)pyrimidin-4-amine is C=C/C=c1/ncnc(NC(C)C)/c1=C/C=C.
What is the InChIKey of (5E,6E)-N-propan-2-yl-5,6-bis(prop-2-enylidene)pyrimidin-4-amine?
The InChIKey is ZCZANVCASUMHII-MKICQXMISA-N. The full InChI is InChI=1S/C13H17N3/c1-5-7-11-12(8-6-2)14-9-15-13(11)16-10(3)4/h5-10H,1-2H2,3-4H3,(H,14,15,16)/b11-7+,12-8+.
What are the key properties of (5E,6E)-N-propan-2-yl-5,6-bis(prop-2-enylidene)pyrimidin-4-amine?
(5E,6E)-N-propan-2-yl-5,6-bis(prop-2-enylidene)pyrimidin-4-amine has a molecular weight of 215.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-N-propan-2-yl-5,6-bis(prop-2-enylidene)pyrimidin-4-amine is sourced from PubChem (CID 134558396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).