(2S)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide

C18H30N4O2 — CID 95143646

IUPAC(2S)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide
SMILESCC[C@H](NCCn1c(C)cc(C)nc1=O)C(=O)NC1CCCCC1
InChIInChI=1S/C18H30N4O2/c1-4-16(17(23)21-15-8-6-5-7-9-15)19-10-11-22-14(3)12-13(2)20-18(22)24/h12,15-16,19H,4-11H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyMQIMYPLTMUXVOM-INIZCTEOSA-N
MW334.46 g/mol
LogP1.68
Rot. Bonds7

About (2S)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide

(2S)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide (PubChem CID 95143646) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide
PubChem CID95143646
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(2S)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide
SMILESCC[C@H](NCCn1c(C)cc(C)nc1=O)C(=O)NC1CCCCC1
InChIInChI=1S/C18H30N4O2/c1-4-16(17(23)21-15-8-6-5-7-9-15)19-10-11-22-14(3)12-13(2)20-18(22)24/h12,15-16,19H,4-11H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyMQIMYPLTMUXVOM-INIZCTEOSA-N
XLogP1.68
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-[2-(Dimethylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 70784333
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(1S,2R)-2-fluorocyclopentyl]acetamide
CID 137981272
(2R)-2-amino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methylpentanamide
CID 56871875
N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-2-(1-isopropyl-3-oxo-2-piperazinyl)acetamide
CID 56888439
(Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide
CID 145488244
(Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane
CID 145488365
N-cyclohexyl-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
CID 46304534
3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]propanamide
CID 46989095
N-cycloheptyl-N'-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]succinamide
CID 46995237
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1-isopropylpiperidine-4-carboxamide
CID 50956693
N-cyclohexyl-2-{[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]amino}butanamide
CID 50980300
(4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]-N-ethyl-L-prolinamide
CID 56706783

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide (CID 95143646) is (2S)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide is CC[C@H](NCCn1c(C)cc(C)nc1=O)C(=O)NC1CCCCC1.
What is the InChIKey of (2S)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide?
The InChIKey is MQIMYPLTMUXVOM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-4-16(17(23)21-15-8-6-5-7-9-15)19-10-11-22-14(3)12-13(2)20-18(22)24/h12,15-16,19H,4-11H2,1-3H3,(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide?
(2S)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide has a molecular weight of 334.46 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]butanamide is sourced from PubChem (CID 95143646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).