(Z)-N-methyl-1-[4-(methylamino)-1,4-dihydropyrimidin-6-yl]ethene-1,2-diamine

C8H15N5 — CID 90451995

IUPAC(Z)-N-methyl-1-[4-(methylamino)-1,4-dihydropyrimidin-6-yl]ethene-1,2-diamine
SMILESCN/C(=C\N)C1=CC(NC)N=CN1
InChIInChI=1S/C8H15N5/c1-10-7(4-9)6-3-8(11-2)13-5-12-6/h3-5,8,10-11H,9H2,1-2H3,(H,12,13)/b7-4-
InChIKeyJTPUAIHSXQYMGL-DAXSKMNVSA-N
MW181.24 g/mol
LogP-0.93
Rot. Bonds3

About (Z)-N-methyl-1-[4-(methylamino)-1,4-dihydropyrimidin-6-yl]ethene-1,2-diamine

(Z)-N-methyl-1-[4-(methylamino)-1,4-dihydropyrimidin-6-yl]ethene-1,2-diamine (PubChem CID 90451995) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is (Z)-N-methyl-1-[4-(methylamino)-1,4-dihydropyrimidin-6-yl]ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N-methyl-1-[4-(methylamino)-1,4-dihydropyrimidin-6-yl]ethene-1,2-diamine
PubChem CID90451995
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name(Z)-N-methyl-1-[4-(methylamino)-1,4-dihydropyrimidin-6-yl]ethene-1,2-diamine
SMILESCN/C(=C\N)C1=CC(NC)N=CN1
InChIInChI=1S/C8H15N5/c1-10-7(4-9)6-3-8(11-2)13-5-12-6/h3-5,8,10-11H,9H2,1-2H3,(H,12,13)/b7-4-
InChIKeyJTPUAIHSXQYMGL-DAXSKMNVSA-N
XLogP-0.93
TPSA74.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-1-[4-(methylamino)-1,4-dihydropyrimidin-6-yl]ethene-1,2-diamine?
The IUPAC name of (Z)-N-methyl-1-[4-(methylamino)-1,4-dihydropyrimidin-6-yl]ethene-1,2-diamine (CID 90451995) is (Z)-N-methyl-1-[4-(methylamino)-1,4-dihydropyrimidin-6-yl]ethene-1,2-diamine.
What is the SMILES notation for (Z)-N-methyl-1-[4-(methylamino)-1,4-dihydropyrimidin-6-yl]ethene-1,2-diamine?
The canonical SMILES for (Z)-N-methyl-1-[4-(methylamino)-1,4-dihydropyrimidin-6-yl]ethene-1,2-diamine is CN/C(=C\N)C1=CC(NC)N=CN1.
What is the InChIKey of (Z)-N-methyl-1-[4-(methylamino)-1,4-dihydropyrimidin-6-yl]ethene-1,2-diamine?
The InChIKey is JTPUAIHSXQYMGL-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H15N5/c1-10-7(4-9)6-3-8(11-2)13-5-12-6/h3-5,8,10-11H,9H2,1-2H3,(H,12,13)/b7-4-.
What are the key properties of (Z)-N-methyl-1-[4-(methylamino)-1,4-dihydropyrimidin-6-yl]ethene-1,2-diamine?
(Z)-N-methyl-1-[4-(methylamino)-1,4-dihydropyrimidin-6-yl]ethene-1,2-diamine has a molecular weight of 181.24 g/mol, XLogP of -0.93, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-1-[4-(methylamino)-1,4-dihydropyrimidin-6-yl]ethene-1,2-diamine is sourced from PubChem (CID 90451995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).