2-amino-1-[4-(1-aminopropyl)pyrimidin-2-yl]ethanol

C9H16N4O — CID 82399491

IUPAC2-amino-1-[4-(1-aminopropyl)pyrimidin-2-yl]ethanol
SMILESCCC(N)c1ccnc(C(O)CN)n1
InChIInChI=1S/C9H16N4O/c1-2-6(11)7-3-4-12-9(13-7)8(14)5-10/h3-4,6,8,14H,2,5,10-11H2,1H3
InChIKeyFPCLUWGZNRLCHX-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.12
Rot. Bonds4

About 2-amino-1-[4-(1-aminopropyl)pyrimidin-2-yl]ethanol

2-amino-1-[4-(1-aminopropyl)pyrimidin-2-yl]ethanol (PubChem CID 82399491) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-amino-1-[4-(1-aminopropyl)pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-(1-aminopropyl)pyrimidin-2-yl]ethanol
PubChem CID82399491
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-amino-1-[4-(1-aminopropyl)pyrimidin-2-yl]ethanol
SMILESCCC(N)c1ccnc(C(O)CN)n1
InChIInChI=1S/C9H16N4O/c1-2-6(11)7-3-4-12-9(13-7)8(14)5-10/h3-4,6,8,14H,2,5,10-11H2,1H3
InChIKeyFPCLUWGZNRLCHX-UHFFFAOYSA-N
XLogP-0.12
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(1-aminopropyl)pyrimidin-2-yl]ethanol?
The IUPAC name of 2-amino-1-[4-(1-aminopropyl)pyrimidin-2-yl]ethanol (CID 82399491) is 2-amino-1-[4-(1-aminopropyl)pyrimidin-2-yl]ethanol.
What is the SMILES notation for 2-amino-1-[4-(1-aminopropyl)pyrimidin-2-yl]ethanol?
The canonical SMILES for 2-amino-1-[4-(1-aminopropyl)pyrimidin-2-yl]ethanol is CCC(N)c1ccnc(C(O)CN)n1.
What is the InChIKey of 2-amino-1-[4-(1-aminopropyl)pyrimidin-2-yl]ethanol?
The InChIKey is FPCLUWGZNRLCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-6(11)7-3-4-12-9(13-7)8(14)5-10/h3-4,6,8,14H,2,5,10-11H2,1H3.
What are the key properties of 2-amino-1-[4-(1-aminopropyl)pyrimidin-2-yl]ethanol?
2-amino-1-[4-(1-aminopropyl)pyrimidin-2-yl]ethanol has a molecular weight of 196.25 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(1-aminopropyl)pyrimidin-2-yl]ethanol is sourced from PubChem (CID 82399491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).