2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid

C14H19N3O2 — CID 107554108

IUPAC2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NCC(C2CC2)C2CC2)n1
InChIInChI=1S/C14H19N3O2/c1-8-6-12(13(18)19)17-14(16-8)15-7-11(9-2-3-9)10-4-5-10/h6,9-11H,2-5,7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyRNBIEDDTRXQDSC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.33
Rot. Bonds6

About 2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid

2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107554108) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid
PubChem CID107554108
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NCC(C2CC2)C2CC2)n1
InChIInChI=1S/C14H19N3O2/c1-8-6-12(13(18)19)17-14(16-8)15-7-11(9-2-3-9)10-4-5-10/h6,9-11H,2-5,7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyRNBIEDDTRXQDSC-UHFFFAOYSA-N
XLogP2.33
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107547653
2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid
CID 67508732
6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid
CID 106197907
6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid
CID 107554495
6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid
CID 107553849
6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid
CID 106295667
6-methyl-2-[(2-methylcyclopropyl)amino]pyrimidine-4-carboxylic acid
CID 107553377
6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid
CID 107553402
2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 107553650
2-[(5-hydroxy-4-methylpentyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 106162734
6-methyl-N-(2-methylpropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320796
2-[(3-hydroxycyclobutyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 107554123

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid (CID 107554108) is 2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(NCC(C2CC2)C2CC2)n1.
What is the InChIKey of 2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is RNBIEDDTRXQDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8-6-12(13(18)19)17-14(16-8)15-7-11(9-2-3-9)10-4-5-10/h6,9-11H,2-5,7H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid?
2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).