2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine

C14H21N3OS — CID 107765069

IUPAC2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(SC2CCOC2C)c1C
InChIInChI=1S/C14H21N3OS/c1-8-12(15-3)16-13(10-4-5-10)17-14(8)19-11-6-7-18-9(11)2/h9-11H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyKCKUOVLALPQYDB-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.97
Rot. Bonds4

About 2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine

2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine (PubChem CID 107765069) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine
PubChem CID107765069
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(SC2CCOC2C)c1C
InChIInChI=1S/C14H21N3OS/c1-8-12(15-3)16-13(10-4-5-10)17-14(8)19-11-6-7-18-9(11)2/h9-11H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyKCKUOVLALPQYDB-UHFFFAOYSA-N
XLogP2.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-difluoro-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyridin-2-amine
CID 114073941
5-ethyl-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine
CID 107765189
2-cyclopropyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N,5-dimethylpyrimidin-4-amine
CID 80994586
4-chloro-2-ethyl-5-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidine
CID 107751016
2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80989965
5-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80990298
5-fluoro-N-methyl-4-(2-methyloxolan-3-yl)sulfanylpyrimidin-2-amine
CID 107765044
2-cyclopropyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988574
4-N-cyclohexyl-2-cyclopropyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980958
[4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine
CID 107751923
(2-cyclopropyl-5-methyl-6-propylsulfanylpyrimidin-4-yl)hydrazine
CID 81000764
3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80992851

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine (CID 107765069) is 2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine is CNc1nc(C2CC2)nc(SC2CCOC2C)c1C.
What is the InChIKey of 2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine?
The InChIKey is KCKUOVLALPQYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-8-12(15-3)16-13(10-4-5-10)17-14(8)19-11-6-7-18-9(11)2/h9-11H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine?
2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine has a molecular weight of 279.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 107765069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).