2-[ethyl-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]amino]acetamide

C13H23N5O — CID 103103249

IUPAC2-[ethyl-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]amino]acetamide
SMILESCCN(CC(N)=O)c1ncc(CNCC(C)C)cn1
InChIInChI=1S/C13H23N5O/c1-4-18(9-12(14)19)13-16-7-11(8-17-13)6-15-5-10(2)3/h7-8,10,15H,4-6,9H2,1-3H3,(H2,14,19)
InChIKeyALEKLMNZQQTZJL-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.53
Rot. Bonds8

About 2-[ethyl-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]amino]acetamide

2-[ethyl-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]amino]acetamide (PubChem CID 103103249) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[ethyl-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[ethyl-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]amino]acetamide
PubChem CID103103249
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[ethyl-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]amino]acetamide
SMILESCCN(CC(N)=O)c1ncc(CNCC(C)C)cn1
InChIInChI=1S/C13H23N5O/c1-4-18(9-12(14)19)13-16-7-11(8-17-13)6-15-5-10(2)3/h7-8,10,15H,4-6,9H2,1-3H3,(H2,14,19)
InChIKeyALEKLMNZQQTZJL-UHFFFAOYSA-N
XLogP0.53
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-ethylamino]acetamide
CID 103103176
N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
CID 113388029
2-[ethyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]acetamide
CID 103103251
2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 103103171
2-[[5-(aminomethyl)-2-pyridinyl]-ethylamino]acetamide
CID 103101253
2-[2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]acetamide
CID 63058426
N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]acetamide
CID 80630475
N-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 64533832
N-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80636161
N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine
CID 62292737
2-methyl-N-[[2-(2-methylfuran-3-yl)sulfanylpyrimidin-5-yl]methyl]propan-1-amine
CID 107783250
2-[[6-(1-hydroxyethyl)-3-pyridinyl]-(2-methylpropyl)amino]acetamide
CID 83132747

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]amino]acetamide?
The IUPAC name of 2-[ethyl-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]amino]acetamide (CID 103103249) is 2-[ethyl-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]amino]acetamide.
What is the SMILES notation for 2-[ethyl-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]amino]acetamide?
The canonical SMILES for 2-[ethyl-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]amino]acetamide is CCN(CC(N)=O)c1ncc(CNCC(C)C)cn1.
What is the InChIKey of 2-[ethyl-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]amino]acetamide?
The InChIKey is ALEKLMNZQQTZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-18(9-12(14)19)13-16-7-11(8-17-13)6-15-5-10(2)3/h7-8,10,15H,4-6,9H2,1-3H3,(H2,14,19).
What are the key properties of 2-[ethyl-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]amino]acetamide?
2-[ethyl-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]amino]acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]amino]acetamide is sourced from PubChem (CID 103103249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).