1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(2S)-4-methoxybutan-2-yl]urea

C13H23N5O3 — CID 97019682

IUPAC1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(2S)-4-methoxybutan-2-yl]urea
SMILESCOCC[C@H](C)NC(=O)Nc1c(OC)ncnc1N(C)C
InChIInChI=1S/C13H23N5O3/c1-9(6-7-20-4)16-13(19)17-10-11(18(2)3)14-8-15-12(10)21-5/h8-9H,6-7H2,1-5H3,(H2,16,17,19)/t9-/m0/s1
InChIKeyLNZZMENCQPUMOI-VIFPVBQESA-N
MW297.36 g/mol
LogP1.10
Rot. Bonds7

About 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(2S)-4-methoxybutan-2-yl]urea

1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(2S)-4-methoxybutan-2-yl]urea (PubChem CID 97019682) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(2S)-4-methoxybutan-2-yl]urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(2S)-4-methoxybutan-2-yl]urea
PubChem CID97019682
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Name1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(2S)-4-methoxybutan-2-yl]urea
SMILESCOCC[C@H](C)NC(=O)Nc1c(OC)ncnc1N(C)C
InChIInChI=1S/C13H23N5O3/c1-9(6-7-20-4)16-13(19)17-10-11(18(2)3)14-8-15-12(10)21-5/h8-9H,6-7H2,1-5H3,(H2,16,17,19)/t9-/m0/s1
InChIKeyLNZZMENCQPUMOI-VIFPVBQESA-N
XLogP1.10
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(2S)-4-methoxybutan-2-yl]urea with MolForge

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Related Compounds

1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 136580568
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-methoxybutan-2-amine
CID 64602597
3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]butanoic acid
CID 119347873
1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea
CID 64606150
2-(4-methoxybutan-2-ylcarbamoylamino)-3-methylbenzoic acid
CID 64605302
N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 99697271
1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea
CID 75449648
1-(4-chlorophenyl)-3-[(2S)-4-methoxybutan-2-yl]urea
CID 124872443
N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide
CID 97246873
N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide
CID 75392016
3-(4-methoxybutan-2-yl)-1,1-dimethylurea
CID 115603454
1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea
CID 60615932

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(2S)-4-methoxybutan-2-yl]urea?
The IUPAC name of 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(2S)-4-methoxybutan-2-yl]urea (CID 97019682) is 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(2S)-4-methoxybutan-2-yl]urea.
What is the SMILES notation for 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(2S)-4-methoxybutan-2-yl]urea?
The canonical SMILES for 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(2S)-4-methoxybutan-2-yl]urea is COCC[C@H](C)NC(=O)Nc1c(OC)ncnc1N(C)C.
What is the InChIKey of 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(2S)-4-methoxybutan-2-yl]urea?
The InChIKey is LNZZMENCQPUMOI-VIFPVBQESA-N. The full InChI is InChI=1S/C13H23N5O3/c1-9(6-7-20-4)16-13(19)17-10-11(18(2)3)14-8-15-12(10)21-5/h8-9H,6-7H2,1-5H3,(H2,16,17,19)/t9-/m0/s1.
What are the key properties of 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(2S)-4-methoxybutan-2-yl]urea?
1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(2S)-4-methoxybutan-2-yl]urea has a molecular weight of 297.36 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(2S)-4-methoxybutan-2-yl]urea is sourced from PubChem (CID 97019682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).