(3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol

C15H25N5O3 — CID 50969010

IUPAC(3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol
SMILESCC(C)O[C@H]1CN(c2cc(N3CCOCC3)nc(N)n2)C[C@@H]1O
InChIInChI=1S/C15H25N5O3/c1-10(2)23-12-9-20(8-11(12)21)14-7-13(17-15(16)18-14)19-3-5-22-6-4-19/h7,10-12,21H,3-6,8-9H2,1-2H3,(H2,16,17,18)/t11-,12-/m0/s1
InChIKeyNVLLFUXNDUMWEU-RYUDHWBXSA-N
MW323.40 g/mol
LogP-0.13
Rot. Bonds4

About (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol

(3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol (PubChem CID 50969010) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol
PubChem CID50969010
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name(3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol
SMILESCC(C)O[C@H]1CN(c2cc(N3CCOCC3)nc(N)n2)C[C@@H]1O
InChIInChI=1S/C15H25N5O3/c1-10(2)23-12-9-20(8-11(12)21)14-7-13(17-15(16)18-14)19-3-5-22-6-4-19/h7,10-12,21H,3-6,8-9H2,1-2H3,(H2,16,17,18)/t11-,12-/m0/s1
InChIKeyNVLLFUXNDUMWEU-RYUDHWBXSA-N
XLogP-0.13
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol (CID 50969010) is (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol is CC(C)O[C@H]1CN(c2cc(N3CCOCC3)nc(N)n2)C[C@@H]1O.
What is the InChIKey of (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol?
The InChIKey is NVLLFUXNDUMWEU-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-10(2)23-12-9-20(8-11(12)21)14-7-13(17-15(16)18-14)19-3-5-22-6-4-19/h7,10-12,21H,3-6,8-9H2,1-2H3,(H2,16,17,18)/t11-,12-/m0/s1.
What are the key properties of (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol?
(3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol has a molecular weight of 323.40 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol is sourced from PubChem (CID 50969010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).