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

C13H20N4O3S — CID 97485736

IUPACN-(cyclopropylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
SMILESCS(=O)(=O)N1CCOC[C@H]1c1nccc(NCC2CC2)n1
InChIInChI=1S/C13H20N4O3S/c1-21(18,19)17-6-7-20-9-11(17)13-14-5-4-12(16-13)15-8-10-2-3-10/h4-5,10-11H,2-3,6-9H2,1H3,(H,14,15,16)/t11-/m0/s1
InChIKeyIATIZTMVBGBNID-NSHDSACASA-N
MW312.39 g/mol
LogP0.63
Rot. Bonds5

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

N-(cyclopropylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine (PubChem CID 97485736) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
PubChem CID97485736
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC NameN-(cyclopropylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
SMILESCS(=O)(=O)N1CCOC[C@H]1c1nccc(NCC2CC2)n1
InChIInChI=1S/C13H20N4O3S/c1-21(18,19)17-6-7-20-9-11(17)13-14-5-4-12(16-13)15-8-10-2-3-10/h4-5,10-11H,2-3,6-9H2,1H3,(H,14,15,16)/t11-/m0/s1
InChIKeyIATIZTMVBGBNID-NSHDSACASA-N
XLogP0.63
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
CID 97485111
N-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 97484458
N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487233
N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97486517
[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 97486330
2-(4-cyclopropylsulfonylmorpholin-3-yl)-N-(2-methoxyethyl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 155836444
N,6-dimethyl-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
CID 125025039
N-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride
CID 155856046
(3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide
CID 97487508
[(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 97486030
[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 131643119
2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131644550

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine (CID 97485736) is N-(cyclopropylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine is CS(=O)(=O)N1CCOC[C@H]1c1nccc(NCC2CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine?
The InChIKey is IATIZTMVBGBNID-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-21(18,19)17-6-7-20-9-11(17)13-14-5-4-12(16-13)15-8-10-2-3-10/h4-5,10-11H,2-3,6-9H2,1H3,(H,14,15,16)/t11-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine?
N-(cyclopropylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine has a molecular weight of 312.39 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 97485736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).