[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol

C9H15N5O — CID 80794344

IUPAC[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESNc1cc(N2CCCC2CO)nc(N)n1
InChIInChI=1S/C9H15N5O/c10-7-4-8(13-9(11)12-7)14-3-1-2-6(14)5-15/h4,6,15H,1-3,5H2,(H4,10,11,12,13)
InChIKeySIENXGHYUDUGRN-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.40
Rot. Bonds2

About [1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol

[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 80794344) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is [1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID80794344
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESNc1cc(N2CCCC2CO)nc(N)n1
InChIInChI=1S/C9H15N5O/c10-7-4-8(13-9(11)12-7)14-3-1-2-6(14)5-15/h4,6,15H,1-3,5H2,(H4,10,11,12,13)
InChIKeySIENXGHYUDUGRN-UHFFFAOYSA-N
XLogP-0.40
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80827064
[1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80794639
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 112726024
[(2R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 122491334
[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 80794563
[1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640662
[1-(6-aminopyrazin-2-yl)pyrrolidin-2-yl]methanol
CID 79033972
[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640645
[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 102719469
2-[2-amino-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol
CID 135433032
[1-(6-aminopyrazin-2-yl)piperidin-2-yl]methanol
CID 80648142
6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80968032

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol (CID 80794344) is [1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol is Nc1cc(N2CCCC2CO)nc(N)n1.
What is the InChIKey of [1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is SIENXGHYUDUGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c10-7-4-8(13-9(11)12-7)14-3-1-2-6(14)5-15/h4,6,15H,1-3,5H2,(H4,10,11,12,13).
What are the key properties of [1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol?
[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 209.25 g/mol, XLogP of -0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 80794344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).