(2R)-4,4-dimethyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]pentan-1-ol

C15H26N4OS — CID 100649938

IUPAC(2R)-4,4-dimethyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]pentan-1-ol
SMILESCC(C)(C)C[C@H](CO)Nc1cc(N2CCSCC2)ncn1
InChIInChI=1S/C15H26N4OS/c1-15(2,3)9-12(10-20)18-13-8-14(17-11-16-13)19-4-6-21-7-5-19/h8,11-12,20H,4-7,9-10H2,1-3H3,(H,16,17,18)/t12-/m1/s1
InChIKeyIQBCMKMQSKNILL-GFCCVEGCSA-N
MW310.47 g/mol
LogP2.24
Rot. Bonds5

About (2R)-4,4-dimethyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]pentan-1-ol

(2R)-4,4-dimethyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 100649938) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is (2R)-4,4-dimethyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name(2R)-4,4-dimethyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]pentan-1-ol
PubChem CID100649938
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name(2R)-4,4-dimethyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]pentan-1-ol
SMILESCC(C)(C)C[C@H](CO)Nc1cc(N2CCSCC2)ncn1
InChIInChI=1S/C15H26N4OS/c1-15(2,3)9-12(10-20)18-13-8-14(17-11-16-13)19-4-6-21-7-5-19/h8,11-12,20H,4-7,9-10H2,1-3H3,(H,16,17,18)/t12-/m1/s1
InChIKeyIQBCMKMQSKNILL-GFCCVEGCSA-N
XLogP2.24
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-4,4-dimethyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]pentan-1-ol with MolForge

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Related Compounds

(2S)-3-phenyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]propanoic acid
CID 120964320
2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol
CID 66327855
(2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol
CID 133434749
4-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060202
N-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757593
6-thiomorpholin-4-ylpyrimidin-4-amine
CID 13394191
4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464744
N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863365
(1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 97245444
(2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid
CID 120964190
N-(1-morpholin-4-ylpropan-2-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 133291179
N-(1,4-oxazepan-2-ylmethyl)-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 128844019

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-dimethyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of (2R)-4,4-dimethyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]pentan-1-ol (CID 100649938) is (2R)-4,4-dimethyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for (2R)-4,4-dimethyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for (2R)-4,4-dimethyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]pentan-1-ol is CC(C)(C)C[C@H](CO)Nc1cc(N2CCSCC2)ncn1.
What is the InChIKey of (2R)-4,4-dimethyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is IQBCMKMQSKNILL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-15(2,3)9-12(10-20)18-13-8-14(17-11-16-13)19-4-6-21-7-5-19/h8,11-12,20H,4-7,9-10H2,1-3H3,(H,16,17,18)/t12-/m1/s1.
What are the key properties of (2R)-4,4-dimethyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]pentan-1-ol?
(2R)-4,4-dimethyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 310.47 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-dimethyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 100649938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).