(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-(4-methoxybutan-2-yl)but-3-enamide

C15H25N3O2 — CID 121330092

IUPAC(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-(4-methoxybutan-2-yl)but-3-enamide
SMILESCOCCC(C)NC(=O)C/C=C\N1CN=C(C)C=C1C
InChIInChI=1S/C15H25N3O2/c1-12(7-9-20-4)17-15(19)6-5-8-18-11-16-13(2)10-14(18)3/h5,8,10,12H,6-7,9,11H2,1-4H3,(H,17,19)/b8-5-
InChIKeyPELNSFOZBMTDDN-YVMONPNESA-N
MW279.38 g/mol
LogP2.07
Rot. Bonds7

About (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-(4-methoxybutan-2-yl)but-3-enamide

(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-(4-methoxybutan-2-yl)but-3-enamide (PubChem CID 121330092) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-(4-methoxybutan-2-yl)but-3-enamide.

Molecular Properties

Compound Name(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-(4-methoxybutan-2-yl)but-3-enamide
PubChem CID121330092
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-(4-methoxybutan-2-yl)but-3-enamide
SMILESCOCCC(C)NC(=O)C/C=C\N1CN=C(C)C=C1C
InChIInChI=1S/C15H25N3O2/c1-12(7-9-20-4)17-15(19)6-5-8-18-11-16-13(2)10-14(18)3/h5,8,10,12H,6-7,9,11H2,1-4H3,(H,17,19)/b8-5-
InChIKeyPELNSFOZBMTDDN-YVMONPNESA-N
XLogP2.07
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-(4-methoxybutan-2-yl)but-3-enamide?
The IUPAC name of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-(4-methoxybutan-2-yl)but-3-enamide (CID 121330092) is (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-(4-methoxybutan-2-yl)but-3-enamide.
What is the SMILES notation for (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-(4-methoxybutan-2-yl)but-3-enamide?
The canonical SMILES for (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-(4-methoxybutan-2-yl)but-3-enamide is COCCC(C)NC(=O)C/C=C\N1CN=C(C)C=C1C.
What is the InChIKey of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-(4-methoxybutan-2-yl)but-3-enamide?
The InChIKey is PELNSFOZBMTDDN-YVMONPNESA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(7-9-20-4)17-15(19)6-5-8-18-11-16-13(2)10-14(18)3/h5,8,10,12H,6-7,9,11H2,1-4H3,(H,17,19)/b8-5-.
What are the key properties of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-(4-methoxybutan-2-yl)but-3-enamide?
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-(4-methoxybutan-2-yl)but-3-enamide has a molecular weight of 279.38 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-(4-methoxybutan-2-yl)but-3-enamide is sourced from PubChem (CID 121330092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).