3-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]-methylamino]propanamide

C11H19N5O — CID 134704056

IUPAC3-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]-methylamino]propanamide
SMILESCCN(C)c1ccnc(N(C)CCC(N)=O)n1
InChIInChI=1S/C11H19N5O/c1-4-15(2)10-5-7-13-11(14-10)16(3)8-6-9(12)17/h5,7H,4,6,8H2,1-3H3,(H2,12,17)
InChIKeyDLGWPAHAKSHRRJ-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.24
Rot. Bonds6

About 3-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]-methylamino]propanamide

3-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]-methylamino]propanamide (PubChem CID 134704056) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]-methylamino]propanamide.

Molecular Properties

Compound Name3-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]-methylamino]propanamide
PubChem CID134704056
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]-methylamino]propanamide
SMILESCCN(C)c1ccnc(N(C)CCC(N)=O)n1
InChIInChI=1S/C11H19N5O/c1-4-15(2)10-5-7-13-11(14-10)16(3)8-6-9(12)17/h5,7H,4,6,8H2,1-3H3,(H2,12,17)
InChIKeyDLGWPAHAKSHRRJ-UHFFFAOYSA-N
XLogP0.24
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate
CID 112638969
4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 50959733
2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779125
2-chloro-4-[4-[ethyl(methyl)amino]pyrimidin-2-yl]benzamide
CID 77089173
3-[(6,7-difluoroquinolin-2-yl)-methylamino]propanamide
CID 18994581
methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate
CID 66287348
methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate
CID 112638970
3-[[4-(4-bromophenyl)pyrimidin-2-yl]-methylamino]propanoic acid
CID 84610487
4-N-methyl-2-N,2-N-diphenyl-4-N-propylpyrimidine-2,4-diamine
CID 139402169
4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid
CID 43378933
2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide
CID 115978158
2-cyclopropyl-N-ethyl-N-methylpyrimidin-4-amine
CID 66911129

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]-methylamino]propanamide?
The IUPAC name of 3-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]-methylamino]propanamide (CID 134704056) is 3-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]-methylamino]propanamide.
What is the SMILES notation for 3-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]-methylamino]propanamide?
The canonical SMILES for 3-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]-methylamino]propanamide is CCN(C)c1ccnc(N(C)CCC(N)=O)n1.
What is the InChIKey of 3-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]-methylamino]propanamide?
The InChIKey is DLGWPAHAKSHRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-4-15(2)10-5-7-13-11(14-10)16(3)8-6-9(12)17/h5,7H,4,6,8H2,1-3H3,(H2,12,17).
What are the key properties of 3-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]-methylamino]propanamide?
3-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]-methylamino]propanamide has a molecular weight of 237.31 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]-methylamino]propanamide is sourced from PubChem (CID 134704056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).