6-morpholin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4-carboxamide

C19H22N4O2 — CID 124727741

IUPAC6-morpholin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C19H22N4O2/c24-19(22-16-7-3-5-14-4-1-2-6-15(14)16)17-12-18(21-13-20-17)23-8-10-25-11-9-23/h1-2,4,6,12-13,16H,3,5,7-11H2,(H,22,24)/t16-/m1/s1
InChIKeySDMXXBTURDQJTI-MRXNPFEDSA-N
MW338.41 g/mol
LogP2.12
Rot. Bonds3

About 6-morpholin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4-carboxamide

6-morpholin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4-carboxamide (PubChem CID 124727741) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4-carboxamide
PubChem CID124727741
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name6-morpholin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C19H22N4O2/c24-19(22-16-7-3-5-14-4-1-2-6-15(14)16)17-12-18(21-13-20-17)23-8-10-25-11-9-23/h1-2,4,6,12-13,16H,3,5,7-11H2,(H,22,24)/t16-/m1/s1
InChIKeySDMXXBTURDQJTI-MRXNPFEDSA-N
XLogP2.12
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-morpholin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4-carboxamide (CID 124727741) is 6-morpholin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-morpholin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-morpholin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4-carboxamide is O=C(N[C@@H]1CCCc2ccccc21)c1cc(N2CCOCC2)ncn1.
What is the InChIKey of 6-morpholin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4-carboxamide?
The InChIKey is SDMXXBTURDQJTI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19(22-16-7-3-5-14-4-1-2-6-15(14)16)17-12-18(21-13-20-17)23-8-10-25-11-9-23/h1-2,4,6,12-13,16H,3,5,7-11H2,(H,22,24)/t16-/m1/s1.
What are the key properties of 6-morpholin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4-carboxamide?
6-morpholin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 124727741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).