5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol

C10H16ClN3O2 — CID 107318311

IUPAC5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
SMILESCOc1c(Cl)ncnc1NCCCCCO
InChIInChI=1S/C10H16ClN3O2/c1-16-8-9(11)13-7-14-10(8)12-5-3-2-4-6-15/h7,15H,2-6H2,1H3,(H,12,13,14)
InChIKeyAIVMTVFVWOKKAD-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.71
Rot. Bonds7

About 5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol

5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 107318311) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
PubChem CID107318311
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
SMILESCOc1c(Cl)ncnc1NCCCCCO
InChIInChI=1S/C10H16ClN3O2/c1-16-8-9(11)13-7-14-10(8)12-5-3-2-4-6-15/h7,15H,2-6H2,1H3,(H,12,13,14)
InChIKeyAIVMTVFVWOKKAD-UHFFFAOYSA-N
XLogP1.71
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 106842912
6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol
CID 107854050
6-chloro-5-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine
CID 106195121
N-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 106193011
[1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 115455244
6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine
CID 114943689
5-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107302432
6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106405714
6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol
CID 114009546
6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 133434436
1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293481
6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 103917942

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol (CID 107318311) is 5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol is COc1c(Cl)ncnc1NCCCCCO.
What is the InChIKey of 5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is AIVMTVFVWOKKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-16-8-9(11)13-7-14-10(8)12-5-3-2-4-6-15/h7,15H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol?
5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 245.71 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 107318311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).