2-(cyclopropylamino)-2-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpentan-1-ol

C14H23N3OS — CID 64807747

IUPAC2-(cyclopropylamino)-2-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpentan-1-ol
SMILESCc1ccnc(SC(C)CC(C)(CO)NC2CC2)n1
InChIInChI=1S/C14H23N3OS/c1-10-6-7-15-13(16-10)19-11(2)8-14(3,9-18)17-12-4-5-12/h6-7,11-12,17-18H,4-5,8-9H2,1-3H3
InChIKeyCJISMLLUNXEMIE-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.16
Rot. Bonds7

About 2-(cyclopropylamino)-2-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpentan-1-ol

2-(cyclopropylamino)-2-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpentan-1-ol (PubChem CID 64807747) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpentan-1-ol
PubChem CID64807747
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpentan-1-ol
SMILESCc1ccnc(SC(C)CC(C)(CO)NC2CC2)n1
InChIInChI=1S/C14H23N3OS/c1-10-6-7-15-13(16-10)19-11(2)8-14(3,9-18)17-12-4-5-12/h6-7,11-12,17-18H,4-5,8-9H2,1-3H3
InChIKeyCJISMLLUNXEMIE-UHFFFAOYSA-N
XLogP2.16
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
CID 64808268
N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]cyclohexanamine
CID 62581167
2-cyclopropyl-2-(cyclopropylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol
CID 64807338
2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol
CID 64807954
2-(4-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62269446
2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propan-2-ylamino)butan-1-ol
CID 64808380
N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline
CID 62580992
2-(cyclopropylamino)-2-methyl-6-(4-methylpyrimidin-2-yl)sulfanylhexanoic acid
CID 62268221
2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol
CID 64807049
2-(4-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropan-1-amine
CID 62581527
2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid
CID 106924844
2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol
CID 64819014

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpentan-1-ol (CID 64807747) is 2-(cyclopropylamino)-2-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpentan-1-ol is Cc1ccnc(SC(C)CC(C)(CO)NC2CC2)n1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpentan-1-ol?
The InChIKey is CJISMLLUNXEMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10-6-7-15-13(16-10)19-11(2)8-14(3,9-18)17-12-4-5-12/h6-7,11-12,17-18H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpentan-1-ol?
2-(cyclopropylamino)-2-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpentan-1-ol has a molecular weight of 281.42 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpentan-1-ol is sourced from PubChem (CID 64807747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).