2-[cyclopropylmethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid

C12H15N5O2 — CID 43656383

IUPAC2-[cyclopropylmethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid
SMILESCn1ncc2c(N(CC(=O)O)CC3CC3)ncnc21
InChIInChI=1S/C12H15N5O2/c1-16-11-9(4-15-16)12(14-7-13-11)17(6-10(18)19)5-8-2-3-8/h4,7-8H,2-3,5-6H2,1H3,(H,18,19)
InChIKeyGTDNGWBNEWZTHD-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.66
Rot. Bonds5

About 2-[cyclopropylmethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid

2-[cyclopropylmethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid (PubChem CID 43656383) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid
PubChem CID43656383
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name2-[cyclopropylmethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid
SMILESCn1ncc2c(N(CC(=O)O)CC3CC3)ncnc21
InChIInChI=1S/C12H15N5O2/c1-16-11-9(4-15-16)12(14-7-13-11)17(6-10(18)19)5-8-2-3-8/h4,7-8H,2-3,5-6H2,1H3,(H,18,19)
InChIKeyGTDNGWBNEWZTHD-UHFFFAOYSA-N
XLogP0.66
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid (CID 43656383) is 2-[cyclopropylmethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid is Cn1ncc2c(N(CC(=O)O)CC3CC3)ncnc21.
What is the InChIKey of 2-[cyclopropylmethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid?
The InChIKey is GTDNGWBNEWZTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-16-11-9(4-15-16)12(14-7-13-11)17(6-10(18)19)5-8-2-3-8/h4,7-8H,2-3,5-6H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropylmethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid?
2-[cyclopropylmethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid has a molecular weight of 261.28 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 43656383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).