(1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol

C15H20N4O2S — CID 129335231

IUPAC(1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
SMILESO[C@@H](CNc1cc(N[C@@H]2CCCOC2)ncn1)c1ccsc1
InChIInChI=1S/C15H20N4O2S/c20-13(11-3-5-22-9-11)7-16-14-6-15(18-10-17-14)19-12-2-1-4-21-8-12/h3,5-6,9-10,12-13,20H,1-2,4,7-8H2,(H2,16,17,18,19)/t12-,13+/m1/s1
InChIKeyIHBKQQDPQGHJJN-OLZOCXBDSA-N
MW320.42 g/mol
LogP2.27
Rot. Bonds6

About (1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol

(1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol (PubChem CID 129335231) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is (1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name(1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
PubChem CID129335231
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name(1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
SMILESO[C@@H](CNc1cc(N[C@@H]2CCCOC2)ncn1)c1ccsc1
InChIInChI=1S/C15H20N4O2S/c20-13(11-3-5-22-9-11)7-16-14-6-15(18-10-17-14)19-12-2-1-4-21-8-12/h3,5-6,9-10,12-13,20H,1-2,4,7-8H2,(H2,16,17,18,19)/t12-,13+/m1/s1
InChIKeyIHBKQQDPQGHJJN-OLZOCXBDSA-N
XLogP2.27
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol with MolForge

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Related Compounds

2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665
2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188663
4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 129005899
oxan-3-yl(thiophen-3-yl)methanol
CID 65099967
6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129333149
(2R)-2-methyl-1-methylsulfanyl-3-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]propan-2-ol
CID 129336267
2-methyl-1-methylsulfanyl-3-[[6-(oxan-3-ylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 128992657
4-[[[6-[[(3S)-oxan-3-yl]amino]pyrimidin-4-yl]amino]methyl]benzonitrile
CID 129333914
6-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129337250
6-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129337249
2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 143851562
4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129333350

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The IUPAC name of (1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol (CID 129335231) is (1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for (1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The canonical SMILES for (1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol is O[C@@H](CNc1cc(N[C@@H]2CCCOC2)ncn1)c1ccsc1.
What is the InChIKey of (1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The InChIKey is IHBKQQDPQGHJJN-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H20N4O2S/c20-13(11-3-5-22-9-11)7-16-14-6-15(18-10-17-14)19-12-2-1-4-21-8-12/h3,5-6,9-10,12-13,20H,1-2,4,7-8H2,(H2,16,17,18,19)/t12-,13+/m1/s1.
What are the key properties of (1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
(1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol has a molecular weight of 320.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 129335231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).