3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide

C13H23N5O — CID 106918446

IUPAC3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C13H23N5O/c1-13(2,3)12-16-9(14)8-10(17-12)18(5)7-6-11(19)15-4/h8H,6-7H2,1-5H3,(H,15,19)(H2,14,16,17)
InChIKeyLAWMSFMPZAJEAB-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.93
Rot. Bonds4

About 3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide

3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide (PubChem CID 106918446) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
PubChem CID106918446
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C13H23N5O/c1-13(2,3)12-16-9(14)8-10(17-12)18(5)7-6-11(19)15-4/h8H,6-7H2,1-5H3,(H,15,19)(H2,14,16,17)
InChIKeyLAWMSFMPZAJEAB-UHFFFAOYSA-N
XLogP0.93
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106917442
2-tert-butyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80960082
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 106770720
2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967560
2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80961639
3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 104924164
3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106917431
2-[(6-amino-2-tert-butylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide
CID 80961691
2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80967726
3-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]-N-methylpropanamide
CID 106914421
3-[(6-hydrazinyl-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 106918756
3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 91766904

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide (CID 106918446) is 3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1cc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The InChIKey is LAWMSFMPZAJEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-13(2,3)12-16-9(14)8-10(17-12)18(5)7-6-11(19)15-4/h8H,6-7H2,1-5H3,(H,15,19)(H2,14,16,17).
What are the key properties of 3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide?
3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106918446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).