(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-[(2S)-2-methylbutyl]but-3-enamide

C15H25N3O — CID 121330083

IUPAC(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-[(2S)-2-methylbutyl]but-3-enamide
SMILESCC[C@H](C)CNC(=O)C/C=C\N1CN=C(C)C=C1C
InChIInChI=1S/C15H25N3O/c1-5-12(2)10-16-15(19)7-6-8-18-11-17-13(3)9-14(18)4/h6,8-9,12H,5,7,10-11H2,1-4H3,(H,16,19)/b8-6-/t12-/m0/s1
InChIKeyIPTMJWRHHCQGPF-VFFGBVLKSA-N
MW263.38 g/mol
LogP2.69
Rot. Bonds6

About (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-[(2S)-2-methylbutyl]but-3-enamide

(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-[(2S)-2-methylbutyl]but-3-enamide (PubChem CID 121330083) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-[(2S)-2-methylbutyl]but-3-enamide.

Molecular Properties

Compound Name(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-[(2S)-2-methylbutyl]but-3-enamide
PubChem CID121330083
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-[(2S)-2-methylbutyl]but-3-enamide
SMILESCC[C@H](C)CNC(=O)C/C=C\N1CN=C(C)C=C1C
InChIInChI=1S/C15H25N3O/c1-5-12(2)10-16-15(19)7-6-8-18-11-17-13(3)9-14(18)4/h6,8-9,12H,5,7,10-11H2,1-4H3,(H,16,19)/b8-6-/t12-/m0/s1
InChIKeyIPTMJWRHHCQGPF-VFFGBVLKSA-N
XLogP2.69
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.69
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)-N-[(2S)-2-methylbutyl]but-3-enamide?
The IUPAC name of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-[(2S)-2-methylbutyl]but-3-enamide (CID 121330083) is (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-[(2S)-2-methylbutyl]but-3-enamide.
What is the SMILES notation for (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-[(2S)-2-methylbutyl]but-3-enamide?
The canonical SMILES for (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-[(2S)-2-methylbutyl]but-3-enamide is CC[C@H](C)CNC(=O)C/C=C\N1CN=C(C)C=C1C.
What is the InChIKey of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-[(2S)-2-methylbutyl]but-3-enamide?
The InChIKey is IPTMJWRHHCQGPF-VFFGBVLKSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-12(2)10-16-15(19)7-6-8-18-11-17-13(3)9-14(18)4/h6,8-9,12H,5,7,10-11H2,1-4H3,(H,16,19)/b8-6-/t12-/m0/s1.
What are the key properties of (Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-[(2S)-2-methylbutyl]but-3-enamide?
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-[(2S)-2-methylbutyl]but-3-enamide has a molecular weight of 263.38 g/mol, XLogP of 2.69, 6 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-[(2S)-2-methylbutyl]but-3-enamide is sourced from PubChem (CID 121330083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).