[(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

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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).