N-(furan-2-ylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine

C14H18N4O4S — CID 97485111

IUPACN-(furan-2-ylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
SMILESCS(=O)(=O)N1CCOC[C@H]1c1nccc(NCc2ccco2)n1
InChIInChI=1S/C14H18N4O4S/c1-23(19,20)18-6-8-21-10-12(18)14-15-5-4-13(17-14)16-9-11-3-2-7-22-11/h2-5,7,12H,6,8-10H2,1H3,(H,15,16,17)/t12-/m0/s1
InChIKeyXFGKKLKTKPZIFJ-LBPRGKRZSA-N
MW338.39 g/mol
LogP1.01
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine

N-(furan-2-ylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine (PubChem CID 97485111) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
PubChem CID97485111
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC NameN-(furan-2-ylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
SMILESCS(=O)(=O)N1CCOC[C@H]1c1nccc(NCc2ccco2)n1
InChIInChI=1S/C14H18N4O4S/c1-23(19,20)18-6-8-21-10-12(18)14-15-5-4-13(17-14)16-9-11-3-2-7-22-11/h2-5,7,12H,6,8-10H2,1H3,(H,15,16,17)/t12-/m0/s1
InChIKeyXFGKKLKTKPZIFJ-LBPRGKRZSA-N
XLogP1.01
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-cyclopropylsulfonylmorpholin-3-yl)-N-(2-methoxyethyl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 155836444
ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112889137
[(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone
CID 97487478
4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889273
N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487233
6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 82456516
N-propan-2-yl-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487405
N-[4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112889223
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113040746
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-2-methylpyrimidin-4-amine
CID 112871354
[4-(furan-2-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206395

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine (CID 97485111) is N-(furan-2-ylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine is CS(=O)(=O)N1CCOC[C@H]1c1nccc(NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine?
The InChIKey is XFGKKLKTKPZIFJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-23(19,20)18-6-8-21-10-12(18)14-15-5-4-13(17-14)16-9-11-3-2-7-22-11/h2-5,7,12H,6,8-10H2,1H3,(H,15,16,17)/t12-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine?
N-(furan-2-ylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine has a molecular weight of 338.39 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 97485111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).