5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyrimidin-2-amine

C19H25N9O2 — CID 71523319

IUPAC5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyrimidin-2-amine
SMILESC[C@@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2[nH]c(-c3cnc(N)nc3)nc2n1
InChIInChI=1S/C19H25N9O2/c1-11-9-29-5-3-27(11)17-14-16(24-15(23-14)13-7-21-18(20)22-8-13)25-19(26-17)28-4-6-30-10-12(28)2/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,20,21,22)(H,23,24,25,26)/t11-,12-/m1/s1
InChIKeyCQABKJUHAHHPIK-VXGBXAGGSA-N
MW411.47 g/mol
LogP0.84
Rot. Bonds3

About 5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyrimidin-2-amine

5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyrimidin-2-amine (PubChem CID 71523319) has the molecular formula C19H25N9O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyrimidin-2-amine
PubChem CID71523319
Molecular FormulaC19H25N9O2
Molecular Weight411.47 g/mol
Exact Mass411.21
IUPAC Name5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyrimidin-2-amine
SMILESC[C@@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2[nH]c(-c3cnc(N)nc3)nc2n1
InChIInChI=1S/C19H25N9O2/c1-11-9-29-5-3-27(11)17-14-16(24-15(23-14)13-7-21-18(20)22-8-13)25-19(26-17)28-4-6-30-10-12(28)2/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,20,21,22)(H,23,24,25,26)/t11-,12-/m1/s1
InChIKeyCQABKJUHAHHPIK-VXGBXAGGSA-N
XLogP0.84
TPSA131.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyrimidin-2-amine?
The IUPAC name of 5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyrimidin-2-amine (CID 71523319) is 5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyrimidin-2-amine is C[C@@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2[nH]c(-c3cnc(N)nc3)nc2n1.
What is the InChIKey of 5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyrimidin-2-amine?
The InChIKey is CQABKJUHAHHPIK-VXGBXAGGSA-N. The full InChI is InChI=1S/C19H25N9O2/c1-11-9-29-5-3-27(11)17-14-16(24-15(23-14)13-7-21-18(20)22-8-13)25-19(26-17)28-4-6-30-10-12(28)2/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,20,21,22)(H,23,24,25,26)/t11-,12-/m1/s1.
What are the key properties of 5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyrimidin-2-amine?
5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyrimidin-2-amine has a molecular weight of 411.47 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-bis[(3R)-3-methylmorpholin-4-yl]-7H-purin-8-yl]pyrimidin-2-amine is sourced from PubChem (CID 71523319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).