4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol

C9H16N4O — CID 80852295

IUPAC4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol
SMILESCC(CCCO)Nc1cc(N)ncn1
InChIInChI=1S/C9H16N4O/c1-7(3-2-4-14)13-9-5-8(10)11-6-12-9/h5-7,14H,2-4H2,1H3,(H3,10,11,12,13)
InChIKeySBXPNFWNAWOKBR-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.63
Rot. Bonds5

About 4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol

4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 80852295) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol
PubChem CID80852295
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol
SMILESCC(CCCO)Nc1cc(N)ncn1
InChIInChI=1S/C9H16N4O/c1-7(3-2-4-14)13-9-5-8(10)11-6-12-9/h5-7,14H,2-4H2,1H3,(H3,10,11,12,13)
InChIKeySBXPNFWNAWOKBR-UHFFFAOYSA-N
XLogP0.63
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 78929734
4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine
CID 78929961
4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 102718936
3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 78997265
4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 80852599
5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162981
2-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol
CID 80906308
4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol
CID 115976030
2-methyl-6-[(6-propan-2-ylpyrimidin-4-yl)amino]heptan-2-ol
CID 72937160
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol
CID 103880365
2-[(6-fluoropyrimidin-4-yl)amino]propan-1-ol
CID 115416509
4-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852827

Frequently Asked Questions

What is the IUPAC name of 4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol (CID 80852295) is 4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol is CC(CCCO)Nc1cc(N)ncn1.
What is the InChIKey of 4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is SBXPNFWNAWOKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(3-2-4-14)13-9-5-8(10)11-6-12-9/h5-7,14H,2-4H2,1H3,(H3,10,11,12,13).
What are the key properties of 4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol?
4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 80852295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).