[1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol

C10H14ClN3O2 — CID 115455244

IUPAC[1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
SMILESCOc1c(Cl)ncnc1NCC1(CO)CC1
InChIInChI=1S/C10H14ClN3O2/c1-16-7-8(11)13-6-14-9(7)12-4-10(5-15)2-3-10/h6,15H,2-5H2,1H3,(H,12,13,14)
InChIKeyIDVANIXMVQTECH-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.32
Rot. Bonds5

About [1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol

[1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol (PubChem CID 115455244) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is [1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
PubChem CID115455244
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name[1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
SMILESCOc1c(Cl)ncnc1NCC1(CO)CC1
InChIInChI=1S/C10H14ClN3O2/c1-16-7-8(11)13-6-14-9(7)12-4-10(5-15)2-3-10/h6,15H,2-5H2,1H3,(H,12,13,14)
InChIKeyIDVANIXMVQTECH-UHFFFAOYSA-N
XLogP1.32
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol with MolForge

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Related Compounds

5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107318311
[1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 115457329
[1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457178
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid
CID 115455108
1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293481
6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine
CID 106330892
6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine
CID 114943689
6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897364
6-chloro-5-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193149
[1-[[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 115366342
2-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106194135
6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
CID 114516488

Frequently Asked Questions

What is the IUPAC name of [1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol (CID 115455244) is [1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol is COc1c(Cl)ncnc1NCC1(CO)CC1.
What is the InChIKey of [1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol?
The InChIKey is IDVANIXMVQTECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-16-7-8(11)13-6-14-9(7)12-4-10(5-15)2-3-10/h6,15H,2-5H2,1H3,(H,12,13,14).
What are the key properties of [1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol?
[1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol has a molecular weight of 243.69 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115455244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).