2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol

C12H23N5O — CID 80810065

IUPAC2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1cc(NC)nc(N)n1
InChIInChI=1S/C12H23N5O/c1-4-9(5-2)17(6-7-18)11-8-10(14-3)15-12(13)16-11/h8-9,18H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyHZNLVFNCXYBGTF-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.09
Rot. Bonds7

About 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol

2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol (PubChem CID 80810065) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
PubChem CID80810065
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1cc(NC)nc(N)n1
InChIInChI=1S/C12H23N5O/c1-4-9(5-2)17(6-7-18)11-8-10(14-3)15-12(13)16-11/h8-9,18H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyHZNLVFNCXYBGTF-UHFFFAOYSA-N
XLogP1.09
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol with MolForge

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Related Compounds

6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine
CID 80775715
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80810928
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80961040
4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine
CID 80837748
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-benzylamino]ethanol
CID 80822214
2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 54999005
2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80810507
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80794701
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
CID 102875573
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80961185
4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine
CID 80821328
6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80849194

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol (CID 80810065) is 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1cc(NC)nc(N)n1.
What is the InChIKey of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol?
The InChIKey is HZNLVFNCXYBGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-9(5-2)17(6-7-18)11-8-10(14-3)15-12(13)16-11/h8-9,18H,4-7H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol?
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol has a molecular weight of 253.35 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol is sourced from PubChem (CID 80810065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).