5-methyl-4-N-[(Z)-2-methylbut-1-enyl]-6-methylidene-1H-pyrimidine-2,4-diamine

C11H18N4 — CID 174338889

IUPAC5-methyl-4-N-[(Z)-2-methylbut-1-enyl]-6-methylidene-1H-pyrimidine-2,4-diamine
SMILESC=C1NC(N)=NC(N/C=C(/C)CC)=C1C
InChIInChI=1S/C11H18N4/c1-5-7(2)6-13-10-8(3)9(4)14-11(12)15-10/h6,13H,4-5H2,1-3H3,(H3,12,14,15)/b7-6-
InChIKeySBXXONOYBYZKMZ-SREVYHEPSA-N
MW206.29 g/mol
LogP1.55
Rot. Bonds3

About 5-methyl-4-N-[(Z)-2-methylbut-1-enyl]-6-methylidene-1H-pyrimidine-2,4-diamine

5-methyl-4-N-[(Z)-2-methylbut-1-enyl]-6-methylidene-1H-pyrimidine-2,4-diamine (PubChem CID 174338889) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-methyl-4-N-[(Z)-2-methylbut-1-enyl]-6-methylidene-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[(Z)-2-methylbut-1-enyl]-6-methylidene-1H-pyrimidine-2,4-diamine
PubChem CID174338889
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name5-methyl-4-N-[(Z)-2-methylbut-1-enyl]-6-methylidene-1H-pyrimidine-2,4-diamine
SMILESC=C1NC(N)=NC(N/C=C(/C)CC)=C1C
InChIInChI=1S/C11H18N4/c1-5-7(2)6-13-10-8(3)9(4)14-11(12)15-10/h6,13H,4-5H2,1-3H3,(H3,12,14,15)/b7-6-
InChIKeySBXXONOYBYZKMZ-SREVYHEPSA-N
XLogP1.55
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[(Z)-2-methylbut-1-enyl]-6-methylidene-1H-pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-[(Z)-2-methylbut-1-enyl]-6-methylidene-1H-pyrimidine-2,4-diamine (CID 174338889) is 5-methyl-4-N-[(Z)-2-methylbut-1-enyl]-6-methylidene-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-[(Z)-2-methylbut-1-enyl]-6-methylidene-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-[(Z)-2-methylbut-1-enyl]-6-methylidene-1H-pyrimidine-2,4-diamine is C=C1NC(N)=NC(N/C=C(/C)CC)=C1C.
What is the InChIKey of 5-methyl-4-N-[(Z)-2-methylbut-1-enyl]-6-methylidene-1H-pyrimidine-2,4-diamine?
The InChIKey is SBXXONOYBYZKMZ-SREVYHEPSA-N. The full InChI is InChI=1S/C11H18N4/c1-5-7(2)6-13-10-8(3)9(4)14-11(12)15-10/h6,13H,4-5H2,1-3H3,(H3,12,14,15)/b7-6-.
What are the key properties of 5-methyl-4-N-[(Z)-2-methylbut-1-enyl]-6-methylidene-1H-pyrimidine-2,4-diamine?
5-methyl-4-N-[(Z)-2-methylbut-1-enyl]-6-methylidene-1H-pyrimidine-2,4-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-[(Z)-2-methylbut-1-enyl]-6-methylidene-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 174338889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).