4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid

C10H13N3O2 — CID 116647476

IUPAC4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(CC2CC2)nc(N)c1C(=O)O
InChIInChI=1S/C10H13N3O2/c1-5-8(10(14)15)9(11)13-7(12-5)4-6-2-3-6/h6H,2-4H2,1H3,(H,14,15)(H2,11,12,13)
InChIKeyUOWOFRAVQNIWOQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.02
Rot. Bonds3

About 4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid

4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid (PubChem CID 116647476) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid
PubChem CID116647476
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(CC2CC2)nc(N)c1C(=O)O
InChIInChI=1S/C10H13N3O2/c1-5-8(10(14)15)9(11)13-7(12-5)4-6-2-3-6/h6H,2-4H2,1H3,(H,14,15)(H2,11,12,13)
InChIKeyUOWOFRAVQNIWOQ-UHFFFAOYSA-N
XLogP1.02
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid (CID 116647476) is 4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid is Cc1nc(CC2CC2)nc(N)c1C(=O)O.
What is the InChIKey of 4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is UOWOFRAVQNIWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-5-8(10(14)15)9(11)13-7(12-5)4-6-2-3-6/h6H,2-4H2,1H3,(H,14,15)(H2,11,12,13).
What are the key properties of 4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid?
4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 116647476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).