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

C13H23N3 — CID 121330082

IUPAC(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-propan-2-ylbut-3-en-1-amine
SMILESCC1=CC(C)=NCN1/C=C\CCNC(C)C
InChIInChI=1S/C13H23N3/c1-11(2)14-7-5-6-8-16-10-15-12(3)9-13(16)4/h6,8-9,11,14H,5,7,10H2,1-4H3/b8-6-
InChIKeyGNZUGGAVENBCDS-VURMDHGXSA-N
MW221.35 g/mol
LogP2.53
Rot. Bonds5

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

(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-propan-2-ylbut-3-en-1-amine (PubChem CID 121330082) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-propan-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-propan-2-ylbut-3-en-1-amine
PubChem CID121330082
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-propan-2-ylbut-3-en-1-amine
SMILESCC1=CC(C)=NCN1/C=C\CCNC(C)C
InChIInChI=1S/C13H23N3/c1-11(2)14-7-5-6-8-16-10-15-12(3)9-13(16)4/h6,8-9,11,14H,5,7,10H2,1-4H3/b8-6-
InChIKeyGNZUGGAVENBCDS-VURMDHGXSA-N
XLogP2.53
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-propan-2-ylbut-3-en-1-amine?
The IUPAC name of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-propan-2-ylbut-3-en-1-amine (CID 121330082) is (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-propan-2-ylbut-3-en-1-amine.
What is the SMILES notation for (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-propan-2-ylbut-3-en-1-amine?
The canonical SMILES for (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-propan-2-ylbut-3-en-1-amine is CC1=CC(C)=NCN1/C=C\CCNC(C)C.
What is the InChIKey of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-propan-2-ylbut-3-en-1-amine?
The InChIKey is GNZUGGAVENBCDS-VURMDHGXSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)14-7-5-6-8-16-10-15-12(3)9-13(16)4/h6,8-9,11,14H,5,7,10H2,1-4H3/b8-6-.
What are the key properties of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-propan-2-ylbut-3-en-1-amine?
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-propan-2-ylbut-3-en-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.53, 5 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)-N-propan-2-ylbut-3-en-1-amine is sourced from PubChem (CID 121330082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).