N-tert-butyl-2-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]acetamide

C14H25N5O — CID 115357399

IUPACN-tert-butyl-2-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]acetamide
SMILESCCCc1c(NC)ncnc1NCC(=O)NC(C)(C)C
InChIInChI=1S/C14H25N5O/c1-6-7-10-12(15-5)17-9-18-13(10)16-8-11(20)19-14(2,3)4/h9H,6-8H2,1-5H3,(H,19,20)(H2,15,16,17,18)
InChIKeyKHESRBZVJOEREZ-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.80
Rot. Bonds6

About N-tert-butyl-2-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]acetamide

N-tert-butyl-2-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]acetamide (PubChem CID 115357399) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-tert-butyl-2-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]acetamide
PubChem CID115357399
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-tert-butyl-2-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]acetamide
SMILESCCCc1c(NC)ncnc1NCC(=O)NC(C)(C)C
InChIInChI=1S/C14H25N5O/c1-6-7-10-12(15-5)17-9-18-13(10)16-8-11(20)19-14(2,3)4/h9H,6-8H2,1-5H3,(H,19,20)(H2,15,16,17,18)
InChIKeyKHESRBZVJOEREZ-UHFFFAOYSA-N
XLogP1.80
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80783919
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80788303
2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-N-tert-butylacetamide
CID 115356044
N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide
CID 80792142
2-methyl-5-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 106163228
N-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 113293277
6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine
CID 102908880
N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9450255
N-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide
CID 102686608
N-tert-butyl-2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide
CID 115357443
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide
CID 63736500

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]acetamide (CID 115357399) is N-tert-butyl-2-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]acetamide is CCCc1c(NC)ncnc1NCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]acetamide?
The InChIKey is KHESRBZVJOEREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-6-7-10-12(15-5)17-9-18-13(10)16-8-11(20)19-14(2,3)4/h9H,6-8H2,1-5H3,(H,19,20)(H2,15,16,17,18).
What are the key properties of N-tert-butyl-2-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]acetamide?
N-tert-butyl-2-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]acetamide has a molecular weight of 279.39 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 115357399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).