N-buta-2,3-dien-2-yl-4-methyl-6-methylidene-1H-pyrimidin-2-amine

C10H13N3 — CID 176540561

IUPACN-buta-2,3-dien-2-yl-4-methyl-6-methylidene-1H-pyrimidin-2-amine
SMILESC=C=C(C)NC1=NC(C)=CC(=C)N1
InChIInChI=1S/C10H13N3/c1-5-7(2)11-10-12-8(3)6-9(4)13-10/h6H,1,3H2,2,4H3,(H2,11,12,13)
InChIKeyXNBNAOTWHNYNIG-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.64
Rot. Bonds1

About N-buta-2,3-dien-2-yl-4-methyl-6-methylidene-1H-pyrimidin-2-amine

N-buta-2,3-dien-2-yl-4-methyl-6-methylidene-1H-pyrimidin-2-amine (PubChem CID 176540561) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-buta-2,3-dien-2-yl-4-methyl-6-methylidene-1H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-buta-2,3-dien-2-yl-4-methyl-6-methylidene-1H-pyrimidin-2-amine
PubChem CID176540561
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC NameN-buta-2,3-dien-2-yl-4-methyl-6-methylidene-1H-pyrimidin-2-amine
SMILESC=C=C(C)NC1=NC(C)=CC(=C)N1
InChIInChI=1S/C10H13N3/c1-5-7(2)11-10-12-8(3)6-9(4)13-10/h6H,1,3H2,2,4H3,(H2,11,12,13)
InChIKeyXNBNAOTWHNYNIG-UHFFFAOYSA-N
XLogP1.64
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-1,4-dihydropyrimidin-2-amine
CID 435185
6-ethylidene-N-methyl-1H-pyrimidin-4-amine
CID 89513878
4-methyl-6-methylidene-1H-pyrimidin-2-amine
CID 89797928
2-methyl-1-[(2Z)-penta-2,4-dien-2-yl]guanidine
CID 89881844
(4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine
CID 126552115
2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]guanidine
CID 134533572
2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine
CID 139305711
1-methyl-6-methylidene-N-prop-1-en-2-ylpyrimidin-4-amine
CID 155001988
[amino-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]amino]methylidene]-methylazanium
CID 163847774
6-[(E)-prop-1-enyl]-1,4-dihydropyrimidin-2-amine
CID 169574185
2-carbamimidoyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine
CID 176523674
4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6,6-dimethyl-1H-1,3,5-triazine-2,4-diamine
CID 176533287

Frequently Asked Questions

What is the IUPAC name of N-buta-2,3-dien-2-yl-4-methyl-6-methylidene-1H-pyrimidin-2-amine?
The IUPAC name of N-buta-2,3-dien-2-yl-4-methyl-6-methylidene-1H-pyrimidin-2-amine (CID 176540561) is N-buta-2,3-dien-2-yl-4-methyl-6-methylidene-1H-pyrimidin-2-amine.
What is the SMILES notation for N-buta-2,3-dien-2-yl-4-methyl-6-methylidene-1H-pyrimidin-2-amine?
The canonical SMILES for N-buta-2,3-dien-2-yl-4-methyl-6-methylidene-1H-pyrimidin-2-amine is C=C=C(C)NC1=NC(C)=CC(=C)N1.
What is the InChIKey of N-buta-2,3-dien-2-yl-4-methyl-6-methylidene-1H-pyrimidin-2-amine?
The InChIKey is XNBNAOTWHNYNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-5-7(2)11-10-12-8(3)6-9(4)13-10/h6H,1,3H2,2,4H3,(H2,11,12,13).
What are the key properties of N-buta-2,3-dien-2-yl-4-methyl-6-methylidene-1H-pyrimidin-2-amine?
N-buta-2,3-dien-2-yl-4-methyl-6-methylidene-1H-pyrimidin-2-amine has a molecular weight of 175.23 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-2,3-dien-2-yl-4-methyl-6-methylidene-1H-pyrimidin-2-amine is sourced from PubChem (CID 176540561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).