2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide

C11H19N5O2 — CID 114053145

IUPAC2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1cc(OC)nc(N)n1
InChIInChI=1S/C11H19N5O2/c1-4-5-13-9(17)7-16(2)8-6-10(18-3)15-11(12)14-8/h6H,4-5,7H2,1-3H3,(H,13,17)(H2,12,14,15)
InChIKeySZMJZDRIWGEBSB-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.03
Rot. Bonds6

About 2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide

2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide (PubChem CID 114053145) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide
PubChem CID114053145
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1cc(OC)nc(N)n1
InChIInChI=1S/C11H19N5O2/c1-4-5-13-9(17)7-16(2)8-6-10(18-3)15-11(12)14-8/h6H,4-5,7H2,1-3H3,(H,13,17)(H2,12,14,15)
InChIKeySZMJZDRIWGEBSB-UHFFFAOYSA-N
XLogP0.03
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 79173345
2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80935631
2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide
CID 80933651
2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide
CID 114074255
2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 60725995
2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80808691
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 81132684
2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid
CID 66332249
2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide
CID 80805134
2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 61452449
2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide
CID 102985844
2-[(5-aminopyrazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80652005

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide (CID 114053145) is 2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1cc(OC)nc(N)n1.
What is the InChIKey of 2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide?
The InChIKey is SZMJZDRIWGEBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-4-5-13-9(17)7-16(2)8-6-10(18-3)15-11(12)14-8/h6H,4-5,7H2,1-3H3,(H,13,17)(H2,12,14,15).
What are the key properties of 2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide?
2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide has a molecular weight of 253.31 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide is sourced from PubChem (CID 114053145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).