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

C10H17N3 — CID 121329489

IUPAC(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine
SMILESCC1=CC(C)=NCN1/C=C\CCN
InChIInChI=1S/C10H17N3/c1-9-7-10(2)13(8-12-9)6-4-3-5-11/h4,6-7H,3,5,8,11H2,1-2H3/b6-4-
InChIKeySTMKYGGRBJPOTF-XQRVVYSFSA-N
MW179.27 g/mol
LogP1.49
Rot. Bonds3

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

(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine (PubChem CID 121329489) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine
PubChem CID121329489
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine
SMILESCC1=CC(C)=NCN1/C=C\CCN
InChIInChI=1S/C10H17N3/c1-9-7-10(2)13(8-12-9)6-4-3-5-11/h4,6-7H,3,5,8,11H2,1-2H3/b6-4-
InChIKeySTMKYGGRBJPOTF-XQRVVYSFSA-N
XLogP1.49
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine?
The IUPAC name of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine (CID 121329489) is (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine.
What is the SMILES notation for (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine?
The canonical SMILES for (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine is CC1=CC(C)=NCN1/C=C\CCN.
What is the InChIKey of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine?
The InChIKey is STMKYGGRBJPOTF-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H17N3/c1-9-7-10(2)13(8-12-9)6-4-3-5-11/h4,6-7H,3,5,8,11H2,1-2H3/b6-4-.
What are the key properties of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine?
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine is sourced from PubChem (CID 121329489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).