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

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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).