6-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H23N3O3 — CID 106133627

IUPAC6-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNCC2CCC(O)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H23N3O3/c1-16-11(7-13(19)17(2)14(16)20)9-15-8-10-3-5-12(18)6-4-10/h7,10,12,15,18H,3-6,8-9H2,1-2H3
InChIKeyOISLSCQWEHSLFY-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.28
Rot. Bonds4

About 6-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 106133627) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID106133627
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name6-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNCC2CCC(O)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H23N3O3/c1-16-11(7-13(19)17(2)14(16)20)9-15-8-10-3-5-12(18)6-4-10/h7,10,12,15,18H,3-6,8-9H2,1-2H3
InChIKeyOISLSCQWEHSLFY-UHFFFAOYSA-N
XLogP-0.28
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126325
6-[[(2-methoxy-2-methylpropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 113450124
2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide
CID 43664954
6-[[(3,4-dimethylcyclohexyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 64744038
6-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 154775439
6-[[2-(3-hydroxypropylsulfanyl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 106310313
6-[[(4-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43233503
1,3-dimethyl-6-[[[(E)-pent-3-enyl]amino]methyl]pyrimidine-2,4-dione
CID 113465620
6-[(3-ethylpentan-3-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 65039230
6-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43233511
1,3-dimethyl-6-[[(5-methylthiophen-2-yl)methylamino]methyl]pyrimidine-2,4-dione
CID 55021421
N-[1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63860747

Frequently Asked Questions

What is the IUPAC name of 6-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 106133627) is 6-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CNCC2CCC(O)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is OISLSCQWEHSLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-16-11(7-13(19)17(2)14(16)20)9-15-8-10-3-5-12(18)6-4-10/h7,10,12,15,18H,3-6,8-9H2,1-2H3.
What are the key properties of 6-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 281.36 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 106133627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).