4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]pyrimidine-5-carboxylic acid

C14H21N3O2 — CID 103256332

IUPAC4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]pyrimidine-5-carboxylic acid
SMILESCC1(C)C(CNCc2ncncc2C(=O)O)C1(C)C
InChIInChI=1S/C14H21N3O2/c1-13(2)11(14(13,3)4)7-15-6-10-9(12(18)19)5-16-8-17-10/h5,8,11,15H,6-7H2,1-4H3,(H,18,19)
InChIKeyBJYVYBKTMIHOMX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.95
Rot. Bonds5

About 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]pyrimidine-5-carboxylic acid

4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]pyrimidine-5-carboxylic acid (PubChem CID 103256332) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]pyrimidine-5-carboxylic acid
PubChem CID103256332
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]pyrimidine-5-carboxylic acid
SMILESCC1(C)C(CNCc2ncncc2C(=O)O)C1(C)C
InChIInChI=1S/C14H21N3O2/c1-13(2)11(14(13,3)4)7-15-6-10-9(12(18)19)5-16-8-17-10/h5,8,11,15H,6-7H2,1-4H3,(H,18,19)
InChIKeyBJYVYBKTMIHOMX-UHFFFAOYSA-N
XLogP1.95
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydroxyethylamino)methyl]pyrimidine-5-carboxylic acid
CID 103238229
4-[[(3-methylcyclohexyl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 114131379
4-[[(2-ethyloxolan-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 114106521
4-[(thian-2-ylmethylamino)methyl]pyrimidine-5-carboxylic acid
CID 103257952
4-[(2-methylsulfanylpropylamino)methyl]pyrimidine-5-carboxylic acid
CID 103265434
4-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 103265330
4-[[2-(3-hydroxypropylsulfanyl)ethylamino]methyl]pyrimidine-5-carboxylic acid
CID 106305652
4-[(3-butoxypropylamino)methyl]pyrimidine-5-carboxylic acid
CID 103264712
4-[(2-butoxyethylamino)methyl]pyrimidine-5-carboxylic acid
CID 103242705
4-[[(2-methylthiolan-2-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103259882
4-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 103256249
4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103250555

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]pyrimidine-5-carboxylic acid (CID 103256332) is 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]pyrimidine-5-carboxylic acid is CC1(C)C(CNCc2ncncc2C(=O)O)C1(C)C.
What is the InChIKey of 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]pyrimidine-5-carboxylic acid?
The InChIKey is BJYVYBKTMIHOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-13(2)11(14(13,3)4)7-15-6-10-9(12(18)19)5-16-8-17-10/h5,8,11,15H,6-7H2,1-4H3,(H,18,19).
What are the key properties of 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]pyrimidine-5-carboxylic acid?
4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]pyrimidine-5-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 103256332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).