(3S)-4-(6-methoxypyrimidin-4-yl)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine

C17H22N6O2 — CID 97486928

IUPAC(3S)-4-(6-methoxypyrimidin-4-yl)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
SMILESCOc1cc(N2CCOC[C@@H]2c2nccc(N3CCCC3)n2)ncn1
InChIInChI=1S/C17H22N6O2/c1-24-16-10-15(19-12-20-16)23-8-9-25-11-13(23)17-18-5-4-14(21-17)22-6-2-3-7-22/h4-5,10,12-13H,2-3,6-9,11H2,1H3/t13-/m1/s1
InChIKeyYYDLAALRWOMUKM-CYBMUJFWSA-N
MW342.40 g/mol
LogP1.45
Rot. Bonds4

About (3S)-4-(6-methoxypyrimidin-4-yl)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine

(3S)-4-(6-methoxypyrimidin-4-yl)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine (PubChem CID 97486928) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3S)-4-(6-methoxypyrimidin-4-yl)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name(3S)-4-(6-methoxypyrimidin-4-yl)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
PubChem CID97486928
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(3S)-4-(6-methoxypyrimidin-4-yl)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
SMILESCOc1cc(N2CCOC[C@@H]2c2nccc(N3CCCC3)n2)ncn1
InChIInChI=1S/C17H22N6O2/c1-24-16-10-15(19-12-20-16)23-8-9-25-11-13(23)17-18-5-4-14(21-17)22-6-2-3-7-22/h4-5,10,12-13H,2-3,6-9,11H2,1H3/t13-/m1/s1
InChIKeyYYDLAALRWOMUKM-CYBMUJFWSA-N
XLogP1.45
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(6-methoxypyrimidin-4-yl)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine?
The IUPAC name of (3S)-4-(6-methoxypyrimidin-4-yl)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine (CID 97486928) is (3S)-4-(6-methoxypyrimidin-4-yl)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine.
What is the SMILES notation for (3S)-4-(6-methoxypyrimidin-4-yl)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine?
The canonical SMILES for (3S)-4-(6-methoxypyrimidin-4-yl)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine is COc1cc(N2CCOC[C@@H]2c2nccc(N3CCCC3)n2)ncn1.
What is the InChIKey of (3S)-4-(6-methoxypyrimidin-4-yl)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine?
The InChIKey is YYDLAALRWOMUKM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-24-16-10-15(19-12-20-16)23-8-9-25-11-13(23)17-18-5-4-14(21-17)22-6-2-3-7-22/h4-5,10,12-13H,2-3,6-9,11H2,1H3/t13-/m1/s1.
What are the key properties of (3S)-4-(6-methoxypyrimidin-4-yl)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine?
(3S)-4-(6-methoxypyrimidin-4-yl)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine has a molecular weight of 342.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(6-methoxypyrimidin-4-yl)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 97486928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).