(3R)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol

C17H26N6O2 — CID 128965210

IUPAC(3R)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCCN(Cc1nnc(C)o1)C1CN(c2ccnc(C(C)C)n2)C[C@H]1O
InChIInChI=1S/C17H26N6O2/c1-5-22(10-16-21-20-12(4)25-16)13-8-23(9-14(13)24)15-6-7-18-17(19-15)11(2)3/h6-7,11,13-14,24H,5,8-10H2,1-4H3/t13?,14-/m1/s1
InChIKeyCLKHOAHYCAOSKV-ARLHGKGLSA-N
MW346.44 g/mol
LogP1.36
Rot. Bonds6

About (3R)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol

(3R)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 128965210) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is (3R)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID128965210
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name(3R)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCCN(Cc1nnc(C)o1)C1CN(c2ccnc(C(C)C)n2)C[C@H]1O
InChIInChI=1S/C17H26N6O2/c1-5-22(10-16-21-20-12(4)25-16)13-8-23(9-14(13)24)15-6-7-18-17(19-15)11(2)3/h6-7,11,13-14,24H,5,8-10H2,1-4H3/t13?,14-/m1/s1
InChIKeyCLKHOAHYCAOSKV-ARLHGKGLSA-N
XLogP1.36
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol (CID 128965210) is (3R)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol is CCN(Cc1nnc(C)o1)C1CN(c2ccnc(C(C)C)n2)C[C@H]1O.
What is the InChIKey of (3R)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is CLKHOAHYCAOSKV-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-5-22(10-16-21-20-12(4)25-16)13-8-23(9-14(13)24)15-6-7-18-17(19-15)11(2)3/h6-7,11,13-14,24H,5,8-10H2,1-4H3/t13?,14-/m1/s1.
What are the key properties of (3R)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol?
(3R)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 346.44 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 128965210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).