2-[(3R)-4-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]morpholin-3-yl]acetamide

C17H26N6O3 — CID 95895108

IUPAC2-[(3R)-4-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]morpholin-3-yl]acetamide
SMILESCc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCOC[C@H]1CC(N)=O
InChIInChI=1S/C17H26N6O3/c1-12-14(10-19-17(20-12)22-5-3-21(2)4-6-22)16(25)23-7-8-26-11-13(23)9-15(18)24/h10,13H,3-9,11H2,1-2H3,(H2,18,24)/t13-/m1/s1
InChIKeySTNJCNUNPIYKPN-CYBMUJFWSA-N
MW362.43 g/mol
LogP-0.75
Rot. Bonds4

About 2-[(3R)-4-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]morpholin-3-yl]acetamide

2-[(3R)-4-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]morpholin-3-yl]acetamide (PubChem CID 95895108) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[(3R)-4-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]morpholin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-4-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]morpholin-3-yl]acetamide
PubChem CID95895108
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC Name2-[(3R)-4-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]morpholin-3-yl]acetamide
SMILESCc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCOC[C@H]1CC(N)=O
InChIInChI=1S/C17H26N6O3/c1-12-14(10-19-17(20-12)22-5-3-21(2)4-6-22)16(25)23-7-8-26-11-13(23)9-15(18)24/h10,13H,3-9,11H2,1-2H3,(H2,18,24)/t13-/m1/s1
InChIKeySTNJCNUNPIYKPN-CYBMUJFWSA-N
XLogP-0.75
TPSA104.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]morpholin-3-yl]acetamide?
The IUPAC name of 2-[(3R)-4-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]morpholin-3-yl]acetamide (CID 95895108) is 2-[(3R)-4-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]morpholin-3-yl]acetamide.
What is the SMILES notation for 2-[(3R)-4-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]morpholin-3-yl]acetamide?
The canonical SMILES for 2-[(3R)-4-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]morpholin-3-yl]acetamide is Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCOC[C@H]1CC(N)=O.
What is the InChIKey of 2-[(3R)-4-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]morpholin-3-yl]acetamide?
The InChIKey is STNJCNUNPIYKPN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N6O3/c1-12-14(10-19-17(20-12)22-5-3-21(2)4-6-22)16(25)23-7-8-26-11-13(23)9-15(18)24/h10,13H,3-9,11H2,1-2H3,(H2,18,24)/t13-/m1/s1.
What are the key properties of 2-[(3R)-4-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]morpholin-3-yl]acetamide?
2-[(3R)-4-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]morpholin-3-yl]acetamide has a molecular weight of 362.43 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]morpholin-3-yl]acetamide is sourced from PubChem (CID 95895108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).