3-cyclopropyl-N-[2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]ethyl]prop-2-enamide

C15H22N4O2 — CID 77407750

IUPAC3-cyclopropyl-N-[2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]ethyl]prop-2-enamide
SMILESCOc1nc(C)cc(N(C)CCNC(=O)C=CC2CC2)n1
InChIInChI=1S/C15H22N4O2/c1-11-10-13(18-15(17-11)21-3)19(2)9-8-16-14(20)7-6-12-4-5-12/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,16,20)
InChIKeyVUZFBTNTBTUNRM-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.31
Rot. Bonds7

About 3-cyclopropyl-N-[2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]ethyl]prop-2-enamide

3-cyclopropyl-N-[2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]ethyl]prop-2-enamide (PubChem CID 77407750) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]ethyl]prop-2-enamide
PubChem CID77407750
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-cyclopropyl-N-[2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]ethyl]prop-2-enamide
SMILESCOc1nc(C)cc(N(C)CCNC(=O)C=CC2CC2)n1
InChIInChI=1S/C15H22N4O2/c1-11-10-13(18-15(17-11)21-3)19(2)9-8-16-14(20)7-6-12-4-5-12/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,16,20)
InChIKeyVUZFBTNTBTUNRM-UHFFFAOYSA-N
XLogP1.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]ethyl]prop-2-enamide?
The IUPAC name of 3-cyclopropyl-N-[2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]ethyl]prop-2-enamide (CID 77407750) is 3-cyclopropyl-N-[2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]ethyl]prop-2-enamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]ethyl]prop-2-enamide?
The canonical SMILES for 3-cyclopropyl-N-[2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]ethyl]prop-2-enamide is COc1nc(C)cc(N(C)CCNC(=O)C=CC2CC2)n1.
What is the InChIKey of 3-cyclopropyl-N-[2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]ethyl]prop-2-enamide?
The InChIKey is VUZFBTNTBTUNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-10-13(18-15(17-11)21-3)19(2)9-8-16-14(20)7-6-12-4-5-12/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,16,20).
What are the key properties of 3-cyclopropyl-N-[2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]ethyl]prop-2-enamide?
3-cyclopropyl-N-[2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]ethyl]prop-2-enamide has a molecular weight of 290.37 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-[(2-methoxy-6-methylpyrimidin-4-yl)-methylamino]ethyl]prop-2-enamide is sourced from PubChem (CID 77407750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).