3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]propanamide

C20H33N5O2 — CID 56892726

IUPAC3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]propanamide
SMILESCCN1CCC(N[C@@H]2CC[C@@H]2NC(=O)CCc2c(C)nc(=O)[nH]c2C)CC1
InChIInChI=1S/C20H33N5O2/c1-4-25-11-9-15(10-12-25)23-17-6-7-18(17)24-19(26)8-5-16-13(2)21-20(27)22-14(16)3/h15,17-18,23H,4-12H2,1-3H3,(H,24,26)(H,21,22,27)/t17-,18+/m1/s1
InChIKeyNNRHNBOWTFMISJ-MSOLQXFVSA-N
MW375.52 g/mol
LogP1.04
Rot. Bonds7

About 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]propanamide

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]propanamide (PubChem CID 56892726) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]propanamide
PubChem CID56892726
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]propanamide
SMILESCCN1CCC(N[C@@H]2CC[C@@H]2NC(=O)CCc2c(C)nc(=O)[nH]c2C)CC1
InChIInChI=1S/C20H33N5O2/c1-4-25-11-9-15(10-12-25)23-17-6-7-18(17)24-19(26)8-5-16-13(2)21-20(27)22-14(16)3/h15,17-18,23H,4-12H2,1-3H3,(H,24,26)(H,21,22,27)/t17-,18+/m1/s1
InChIKeyNNRHNBOWTFMISJ-MSOLQXFVSA-N
XLogP1.04
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]propanamide (CID 56892726) is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]propanamide is CCN1CCC(N[C@@H]2CC[C@@H]2NC(=O)CCc2c(C)nc(=O)[nH]c2C)CC1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]propanamide?
The InChIKey is NNRHNBOWTFMISJ-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-4-25-11-9-15(10-12-25)23-17-6-7-18(17)24-19(26)8-5-16-13(2)21-20(27)22-14(16)3/h15,17-18,23H,4-12H2,1-3H3,(H,24,26)(H,21,22,27)/t17-,18+/m1/s1.
What are the key properties of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]propanamide?
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]propanamide has a molecular weight of 375.52 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]propanamide is sourced from PubChem (CID 56892726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).