[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C17H21N5O3 — CID 97486330

IUPAC[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCOC[C@@H]1c1nccc(NCC2CC2)n1
InChIInChI=1S/C17H21N5O3/c1-11-15(25-10-20-11)17(23)22-6-7-24-9-13(22)16-18-5-4-14(21-16)19-8-12-2-3-12/h4-5,10,12-13H,2-3,6-9H2,1H3,(H,18,19,21)/t13-/m1/s1
InChIKeyLTLABEJGASUCFI-CYBMUJFWSA-N
MW343.39 g/mol
LogP1.81
Rot. Bonds5

About [(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 97486330) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is [(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID97486330
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCOC[C@@H]1c1nccc(NCC2CC2)n1
InChIInChI=1S/C17H21N5O3/c1-11-15(25-10-20-11)17(23)22-6-7-24-9-13(22)16-18-5-4-14(21-16)19-8-12-2-3-12/h4-5,10,12-13H,2-3,6-9H2,1H3,(H,18,19,21)/t13-/m1/s1
InChIKeyLTLABEJGASUCFI-CYBMUJFWSA-N
XLogP1.81
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone with MolForge

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Related Compounds

N-(cyclopropylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
CID 97485736
[(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
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-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone
CID 97487478
phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone
CID 133140572
[(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 97483143
[(3R)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 97483141
2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131644550
[(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 97485514

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 97486330) is [(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1CCOC[C@@H]1c1nccc(NCC2CC2)n1.
What is the InChIKey of [(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is LTLABEJGASUCFI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-15(25-10-20-11)17(23)22-6-7-24-9-13(22)16-18-5-4-14(21-16)19-8-12-2-3-12/h4-5,10,12-13H,2-3,6-9H2,1H3,(H,18,19,21)/t13-/m1/s1.
What are the key properties of [(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 343.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 97486330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).