N-tert-butyl-3-[(2-methylpyrimidin-4-yl)amino]propanamide

C12H20N4O — CID 113243784

IUPACN-tert-butyl-3-[(2-methylpyrimidin-4-yl)amino]propanamide
SMILESCc1nccc(NCCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C12H20N4O/c1-9-13-7-5-10(15-9)14-8-6-11(17)16-12(2,3)4/h5,7H,6,8H2,1-4H3,(H,16,17)(H,13,14,15)
InChIKeyDIQBJCKJXHRJHQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.50
Rot. Bonds4

About N-tert-butyl-3-[(2-methylpyrimidin-4-yl)amino]propanamide

N-tert-butyl-3-[(2-methylpyrimidin-4-yl)amino]propanamide (PubChem CID 113243784) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-tert-butyl-3-[(2-methylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(2-methylpyrimidin-4-yl)amino]propanamide
PubChem CID113243784
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-tert-butyl-3-[(2-methylpyrimidin-4-yl)amino]propanamide
SMILESCc1nccc(NCCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C12H20N4O/c1-9-13-7-5-10(15-9)14-8-6-11(17)16-12(2,3)4/h5,7H,6,8H2,1-4H3,(H,16,17)(H,13,14,15)
InChIKeyDIQBJCKJXHRJHQ-UHFFFAOYSA-N
XLogP1.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate
CID 143029344
N-tert-butyl-3-(quinoxalin-2-ylamino)propanamide
CID 115609169
N-(2-fluoroethyl)-2-methylpyrimidin-4-amine
CID 130478085
N-butyl-2-methylpyrimidin-4-amine
CID 62785690
2-methyl-N-(4-methylpent-3-enyl)pyrimidin-4-amine
CID 130668363
3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 64701760
6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxamide
CID 112695977
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide
CID 115774058
N-tert-butyl-3-(4-methylanilino)propanamide
CID 109031320
N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine
CID 130700379
N-tert-butyl-3-(2,6-dimethylanilino)propanamide
CID 109031328
(2R)-2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 148752104

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(2-methylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-tert-butyl-3-[(2-methylpyrimidin-4-yl)amino]propanamide (CID 113243784) is N-tert-butyl-3-[(2-methylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(2-methylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(2-methylpyrimidin-4-yl)amino]propanamide is Cc1nccc(NCCC(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-3-[(2-methylpyrimidin-4-yl)amino]propanamide?
The InChIKey is DIQBJCKJXHRJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-13-7-5-10(15-9)14-8-6-11(17)16-12(2,3)4/h5,7H,6,8H2,1-4H3,(H,16,17)(H,13,14,15).
What are the key properties of N-tert-butyl-3-[(2-methylpyrimidin-4-yl)amino]propanamide?
N-tert-butyl-3-[(2-methylpyrimidin-4-yl)amino]propanamide has a molecular weight of 236.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(2-methylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 113243784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).