2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide

C14H25N5O — CID 79662404

IUPAC2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide
SMILESCCCN(CC(=O)Nc1ncccn1)CC(C)(C)CN
InChIInChI=1S/C14H25N5O/c1-4-8-19(11-14(2,3)10-15)9-12(20)18-13-16-6-5-7-17-13/h5-7H,4,8-11,15H2,1-3H3,(H,16,17,18,20)
InChIKeyTWDUVMDOUILJGI-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.11
Rot. Bonds8

About 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide

2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide (PubChem CID 79662404) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide
PubChem CID79662404
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide
SMILESCCCN(CC(=O)Nc1ncccn1)CC(C)(C)CN
InChIInChI=1S/C14H25N5O/c1-4-8-19(11-14(2,3)10-15)9-12(20)18-13-16-6-5-7-17-13/h5-7H,4,8-11,15H2,1-3H3,(H,16,17,18,20)
InChIKeyTWDUVMDOUILJGI-UHFFFAOYSA-N
XLogP1.11
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 79661188
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide
CID 79665274
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide
CID 79662015
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-benzylacetamide
CID 79665033
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide
CID 107485826
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide
CID 79665477
2,2-dimethyl-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 79668381
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide
CID 79664547
N'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79662162
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 79653209
2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide
CID 62114945
2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile
CID 79662269

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide (CID 79662404) is 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide is CCCN(CC(=O)Nc1ncccn1)CC(C)(C)CN.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide?
The InChIKey is TWDUVMDOUILJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-8-19(11-14(2,3)10-15)9-12(20)18-13-16-6-5-7-17-13/h5-7H,4,8-11,15H2,1-3H3,(H,16,17,18,20).
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide?
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide has a molecular weight of 279.39 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 79662404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).