2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid

C11H17N3O2 — CID 83181140

IUPAC2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid
SMILESCCN(c1ncc(C(=O)O)c(C)n1)C(C)C
InChIInChI=1S/C11H17N3O2/c1-5-14(7(2)3)11-12-6-9(10(15)16)8(4)13-11/h6-7H,5H2,1-4H3,(H,15,16)
InChIKeyMYPDCQACLLZIIO-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.72
Rot. Bonds4

About 2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid

2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83181140) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid
PubChem CID83181140
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid
SMILESCCN(c1ncc(C(=O)O)c(C)n1)C(C)C
InChIInChI=1S/C11H17N3O2/c1-5-14(7(2)3)11-12-6-9(10(15)16)8(4)13-11/h6-7H,5H2,1-4H3,(H,15,16)
InChIKeyMYPDCQACLLZIIO-UHFFFAOYSA-N
XLogP1.72
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83182043
[2-[ethyl(propan-2-yl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83184884
2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181799
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83184172
ethyl 2-[(3-amino-3-sulfanylidenepropyl)-propan-2-ylamino]-4-methylpyrimidine-5-carboxylate
CID 83179890
2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181146
2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 102994032
2-[cyclopropyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181070
2-[hexyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 91210438
N-ethyl-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185946
2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83182104
4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61340980

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid (CID 83181140) is 2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid is CCN(c1ncc(C(=O)O)c(C)n1)C(C)C.
What is the InChIKey of 2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is MYPDCQACLLZIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-5-14(7(2)3)11-12-6-9(10(15)16)8(4)13-11/h6-7H,5H2,1-4H3,(H,15,16).
What are the key properties of 2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid?
2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).