N-propan-2-yl-5-(thiomorpholin-4-ylmethyl)pyrimidin-2-amine

C12H20N4S — CID 77092688

IUPACN-propan-2-yl-5-(thiomorpholin-4-ylmethyl)pyrimidin-2-amine
SMILESCC(C)Nc1ncc(CN2CCSCC2)cn1
InChIInChI=1S/C12H20N4S/c1-10(2)15-12-13-7-11(8-14-12)9-16-3-5-17-6-4-16/h7-8,10H,3-6,9H2,1-2H3,(H,13,14,15)
InChIKeySLOIQDGNOGVNLV-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.85
Rot. Bonds4

About N-propan-2-yl-5-(thiomorpholin-4-ylmethyl)pyrimidin-2-amine

N-propan-2-yl-5-(thiomorpholin-4-ylmethyl)pyrimidin-2-amine (PubChem CID 77092688) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N-propan-2-yl-5-(thiomorpholin-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-5-(thiomorpholin-4-ylmethyl)pyrimidin-2-amine
PubChem CID77092688
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN-propan-2-yl-5-(thiomorpholin-4-ylmethyl)pyrimidin-2-amine
SMILESCC(C)Nc1ncc(CN2CCSCC2)cn1
InChIInChI=1S/C12H20N4S/c1-10(2)15-12-13-7-11(8-14-12)9-16-3-5-17-6-4-16/h7-8,10H,3-6,9H2,1-2H3,(H,13,14,15)
InChIKeySLOIQDGNOGVNLV-UHFFFAOYSA-N
XLogP1.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine
CID 77096467
N,N-dimethyl-2-[4-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-1,4-diazepan-1-yl]acetamide
CID 77084809
4-[(6-chloro-3-pyridinyl)methyl]-1,4-thiazepane
CID 60773865
[(3R,4S)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 70726968
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidin-4-ol
CID 72837076
5-[[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine
CID 95556773
4-(morpholin-4-ylmethyl)-N-propan-2-ylaniline
CID 28716282
2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid
CID 84666078
N-methyl-1-[5-[4-(thiomorpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867051
5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 135120145
N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 62280369
5-(1,4-thiazepan-4-ylmethyl)pyrazin-2-amine
CID 103056205

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-(thiomorpholin-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-propan-2-yl-5-(thiomorpholin-4-ylmethyl)pyrimidin-2-amine (CID 77092688) is N-propan-2-yl-5-(thiomorpholin-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-propan-2-yl-5-(thiomorpholin-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-propan-2-yl-5-(thiomorpholin-4-ylmethyl)pyrimidin-2-amine is CC(C)Nc1ncc(CN2CCSCC2)cn1.
What is the InChIKey of N-propan-2-yl-5-(thiomorpholin-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is SLOIQDGNOGVNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-10(2)15-12-13-7-11(8-14-12)9-16-3-5-17-6-4-16/h7-8,10H,3-6,9H2,1-2H3,(H,13,14,15).
What are the key properties of N-propan-2-yl-5-(thiomorpholin-4-ylmethyl)pyrimidin-2-amine?
N-propan-2-yl-5-(thiomorpholin-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 252.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-(thiomorpholin-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 77092688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).