1-(4-methoxy-6-piperidin-1-ylpyrimidin-2-yl)-3-propan-2-ylthiourea

C14H23N5OS — CID 100775059

IUPAC1-(4-methoxy-6-piperidin-1-ylpyrimidin-2-yl)-3-propan-2-ylthiourea
SMILESCOc1cc(N2CCCCC2)nc(NC(=S)NC(C)C)n1
InChIInChI=1S/C14H23N5OS/c1-10(2)15-14(21)18-13-16-11(9-12(17-13)20-3)19-7-5-4-6-8-19/h9-10H,4-8H2,1-3H3,(H2,15,16,17,18,21)
InChIKeyKCIJCNLQKHOGNW-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.17
Rot. Bonds4

About 1-(4-methoxy-6-piperidin-1-ylpyrimidin-2-yl)-3-propan-2-ylthiourea

1-(4-methoxy-6-piperidin-1-ylpyrimidin-2-yl)-3-propan-2-ylthiourea (PubChem CID 100775059) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-(4-methoxy-6-piperidin-1-ylpyrimidin-2-yl)-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-(4-methoxy-6-piperidin-1-ylpyrimidin-2-yl)-3-propan-2-ylthiourea
PubChem CID100775059
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name1-(4-methoxy-6-piperidin-1-ylpyrimidin-2-yl)-3-propan-2-ylthiourea
SMILESCOc1cc(N2CCCCC2)nc(NC(=S)NC(C)C)n1
InChIInChI=1S/C14H23N5OS/c1-10(2)15-14(21)18-13-16-11(9-12(17-13)20-3)19-7-5-4-6-8-19/h9-10H,4-8H2,1-3H3,(H2,15,16,17,18,21)
InChIKeyKCIJCNLQKHOGNW-UHFFFAOYSA-N
XLogP2.17
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-(azepan-1-yl)-6-chloropyrimidin-2-yl]-3-propan-2-ylthiourea
CID 100775606
1-tert-butyl-3-(4-methoxy-6-pyrrolidin-1-ylpyrimidin-2-yl)thiourea
CID 100776160
1-[4-(azepan-1-yl)-6-methoxypyrimidin-2-yl]-3-cycloheptylthiourea
CID 100791165
1-[4-(3-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidin-2-yl]-3-propan-2-ylthiourea
CID 133260792
1-[4-[(3S)-3-methylpiperidin-1-yl]-6-piperidin-1-ylpyrimidin-2-yl]-3-propan-2-ylthiourea
CID 125048168
1-[4-(azepan-1-yl)-6-methoxypyrimidin-2-yl]-3-[(4-methoxyphenyl)methyl]thiourea
CID 100781041
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea
CID 100775447
1-[4-(azepan-1-yl)-6-pyrimidin-2-ylsulfanylpyrimidin-2-yl]-3-propan-2-ylthiourea
CID 100775436
1-[4-(azepan-1-yl)-6-methoxypyrimidin-2-yl]-3-(3-phenylpropyl)thiourea
CID 100785407
1-(4-phenoxy-6-piperidin-1-ylpyrimidin-2-yl)-3-(1-phenylethyl)thiourea
CID 133197386
1-[4-(azepan-1-yl)-6-piperidin-1-ylpyrimidin-2-yl]-3-(1-phenylethyl)thiourea
CID 133197385
1-[(1S)-1-phenylethyl]-3-(4-piperidin-1-yl-6-pyrrolidin-1-ylpyrimidin-2-yl)thiourea
CID 100784634

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-6-piperidin-1-ylpyrimidin-2-yl)-3-propan-2-ylthiourea?
The IUPAC name of 1-(4-methoxy-6-piperidin-1-ylpyrimidin-2-yl)-3-propan-2-ylthiourea (CID 100775059) is 1-(4-methoxy-6-piperidin-1-ylpyrimidin-2-yl)-3-propan-2-ylthiourea.
What is the SMILES notation for 1-(4-methoxy-6-piperidin-1-ylpyrimidin-2-yl)-3-propan-2-ylthiourea?
The canonical SMILES for 1-(4-methoxy-6-piperidin-1-ylpyrimidin-2-yl)-3-propan-2-ylthiourea is COc1cc(N2CCCCC2)nc(NC(=S)NC(C)C)n1.
What is the InChIKey of 1-(4-methoxy-6-piperidin-1-ylpyrimidin-2-yl)-3-propan-2-ylthiourea?
The InChIKey is KCIJCNLQKHOGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-10(2)15-14(21)18-13-16-11(9-12(17-13)20-3)19-7-5-4-6-8-19/h9-10H,4-8H2,1-3H3,(H2,15,16,17,18,21).
What are the key properties of 1-(4-methoxy-6-piperidin-1-ylpyrimidin-2-yl)-3-propan-2-ylthiourea?
1-(4-methoxy-6-piperidin-1-ylpyrimidin-2-yl)-3-propan-2-ylthiourea has a molecular weight of 309.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-6-piperidin-1-ylpyrimidin-2-yl)-3-propan-2-ylthiourea is sourced from PubChem (CID 100775059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).