N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

C14H17N3OS — CID 97231150

IUPACN-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESc1cnc(N(Cc2cccs2)C[C@H]2CCCO2)nc1
InChIInChI=1S/C14H17N3OS/c1-4-12(18-8-1)10-17(11-13-5-2-9-19-13)14-15-6-3-7-16-14/h2-3,5-7,9,12H,1,4,8,10-11H2/t12-/m1/s1
InChIKeyYSRROSVBKLDXNL-GFCCVEGCSA-N
MW275.38 g/mol
LogP2.72
Rot. Bonds5

About N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (PubChem CID 97231150) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
PubChem CID97231150
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESc1cnc(N(Cc2cccs2)C[C@H]2CCCO2)nc1
InChIInChI=1S/C14H17N3OS/c1-4-12(18-8-1)10-17(11-13-5-2-9-19-13)14-15-6-3-7-16-14/h2-3,5-7,9,12H,1,4,8,10-11H2/t12-/m1/s1
InChIKeyYSRROSVBKLDXNL-GFCCVEGCSA-N
XLogP2.72
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 133369141
1-[(2S)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)-N-(thiophen-2-ylmethyl)methanamine
CID 95904603
3-bromo-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 133365584
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 78807506
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681211
1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 39973516
1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 126783872
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
3-cyclopropyl-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)thiourea
CID 9284117
5-N-[[(2R)-oxolan-2-yl]methyl]-5-N-(pyridin-2-ylmethyl)-6-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 42530997
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 94541380

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (CID 97231150) is N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is c1cnc(N(Cc2cccs2)C[C@H]2CCCO2)nc1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is YSRROSVBKLDXNL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-4-12(18-8-1)10-17(11-13-5-2-9-19-13)14-15-6-3-7-16-14/h2-3,5-7,9,12H,1,4,8,10-11H2/t12-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 275.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 97231150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).