(2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)but-3-en-1-amine

C10H15N3 — CID 121329495

IUPAC(2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)but-3-en-1-amine
SMILESC=C/C(CN)=C1/N=C(C)C=C(C)N1
InChIInChI=1S/C10H15N3/c1-4-9(6-11)10-12-7(2)5-8(3)13-10/h4-5,12H,1,6,11H2,2-3H3/b10-9-
InChIKeyBJGLVGQVWYLHCK-KTKRTIGZSA-N
MW177.25 g/mol
LogP1.31
Rot. Bonds2

About (2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)but-3-en-1-amine

(2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)but-3-en-1-amine (PubChem CID 121329495) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)but-3-en-1-amine.

Molecular Properties

Compound Name(2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)but-3-en-1-amine
PubChem CID121329495
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)but-3-en-1-amine
SMILESC=C/C(CN)=C1/N=C(C)C=C(C)N1
InChIInChI=1S/C10H15N3/c1-4-9(6-11)10-12-7(2)5-8(3)13-10/h4-5,12H,1,6,11H2,2-3H3/b10-9-
InChIKeyBJGLVGQVWYLHCK-KTKRTIGZSA-N
XLogP1.31
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)but-3-en-1-amine?
The IUPAC name of (2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)but-3-en-1-amine (CID 121329495) is (2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)but-3-en-1-amine.
What is the SMILES notation for (2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)but-3-en-1-amine?
The canonical SMILES for (2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)but-3-en-1-amine is C=C/C(CN)=C1/N=C(C)C=C(C)N1.
What is the InChIKey of (2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)but-3-en-1-amine?
The InChIKey is BJGLVGQVWYLHCK-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H15N3/c1-4-9(6-11)10-12-7(2)5-8(3)13-10/h4-5,12H,1,6,11H2,2-3H3/b10-9-.
What are the key properties of (2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)but-3-en-1-amine?
(2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)but-3-en-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)but-3-en-1-amine is sourced from PubChem (CID 121329495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).