4-cyclopropyl-N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]pyrimidine-5-carboxamide

C16H23N3O2 — CID 164643233

IUPAC4-cyclopropyl-N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]pyrimidine-5-carboxamide
SMILESCC1(C)C[C@@H](CNC(=O)c2cncnc2C2CC2)CCO1
InChIInChI=1S/C16H23N3O2/c1-16(2)7-11(5-6-21-16)8-18-15(20)13-9-17-10-19-14(13)12-3-4-12/h9-12H,3-8H2,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyFRGPFBOPFSWLIG-NSHDSACASA-N
MW289.38 g/mol
LogP2.29
Rot. Bonds4

About 4-cyclopropyl-N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]pyrimidine-5-carboxamide

4-cyclopropyl-N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 164643233) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-cyclopropyl-N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]pyrimidine-5-carboxamide
PubChem CID164643233
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-cyclopropyl-N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]pyrimidine-5-carboxamide
SMILESCC1(C)C[C@@H](CNC(=O)c2cncnc2C2CC2)CCO1
InChIInChI=1S/C16H23N3O2/c1-16(2)7-11(5-6-21-16)8-18-15(20)13-9-17-10-19-14(13)12-3-4-12/h9-12H,3-8H2,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyFRGPFBOPFSWLIG-NSHDSACASA-N
XLogP2.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]pyrimidine-5-carboxamide (CID 164643233) is 4-cyclopropyl-N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]pyrimidine-5-carboxamide is CC1(C)C[C@@H](CNC(=O)c2cncnc2C2CC2)CCO1.
What is the InChIKey of 4-cyclopropyl-N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is FRGPFBOPFSWLIG-NSHDSACASA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2)7-11(5-6-21-16)8-18-15(20)13-9-17-10-19-14(13)12-3-4-12/h9-12H,3-8H2,1-2H3,(H,18,20)/t11-/m0/s1.
What are the key properties of 4-cyclopropyl-N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]pyrimidine-5-carboxamide?
4-cyclopropyl-N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 164643233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).