2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid

C14H22N4O3 — CID 122047251

IUPAC2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid
SMILESCC(C)C1OCCCC1Nc1ccnc(NCC(=O)O)n1
InChIInChI=1S/C14H22N4O3/c1-9(2)13-10(4-3-7-21-13)17-11-5-6-15-14(18-11)16-8-12(19)20/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,19,20)(H2,15,16,17,18)
InChIKeyGWYXPQYSXLMWOL-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.59
Rot. Bonds6

About 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid

2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid (PubChem CID 122047251) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid
PubChem CID122047251
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid
SMILESCC(C)C1OCCCC1Nc1ccnc(NCC(=O)O)n1
InChIInChI=1S/C14H22N4O3/c1-9(2)13-10(4-3-7-21-13)17-11-5-6-15-14(18-11)16-8-12(19)20/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,19,20)(H2,15,16,17,18)
InChIKeyGWYXPQYSXLMWOL-UHFFFAOYSA-N
XLogP1.59
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid (CID 122047251) is 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid is CC(C)C1OCCCC1Nc1ccnc(NCC(=O)O)n1.
What is the InChIKey of 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid?
The InChIKey is GWYXPQYSXLMWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9(2)13-10(4-3-7-21-13)17-11-5-6-15-14(18-11)16-8-12(19)20/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,19,20)(H2,15,16,17,18).
What are the key properties of 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid?
2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid has a molecular weight of 294.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid is sourced from PubChem (CID 122047251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).