[1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol

C11H18N4OS — CID 113313789

IUPAC[1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
SMILESCNc1cc(NCC2(CO)CC2)nc(SC)n1
InChIInChI=1S/C11H18N4OS/c1-12-8-5-9(15-10(14-8)17-2)13-6-11(7-16)3-4-11/h5,16H,3-4,6-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyGCQPCKZAPGZDMA-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.42
Rot. Bonds6

About [1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol

[1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol (PubChem CID 113313789) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is [1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
PubChem CID113313789
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name[1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
SMILESCNc1cc(NCC2(CO)CC2)nc(SC)n1
InChIInChI=1S/C11H18N4OS/c1-12-8-5-9(15-10(14-8)17-2)13-6-11(7-16)3-4-11/h5,16H,3-4,6-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyGCQPCKZAPGZDMA-UHFFFAOYSA-N
XLogP1.42
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol with MolForge

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Related Compounds

[1-[[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 113313781
1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842902
1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842435
[1-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopropyl]methanol
CID 102719028
2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106103450
2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114757222
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
N-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide
CID 80783801
4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80846727
N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide
CID 80788462
[1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 115457185
4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80838969

Frequently Asked Questions

What is the IUPAC name of [1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol (CID 113313789) is [1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol is CNc1cc(NCC2(CO)CC2)nc(SC)n1.
What is the InChIKey of [1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol?
The InChIKey is GCQPCKZAPGZDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-12-8-5-9(15-10(14-8)17-2)13-6-11(7-16)3-4-11/h5,16H,3-4,6-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of [1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol?
[1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol has a molecular weight of 254.36 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 113313789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).