4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol

C14H16ClN3O2 — CID 106196664

IUPAC4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol
SMILESCCOCc1nc(Cl)cc(NCc2ccc(O)cc2)n1
InChIInChI=1S/C14H16ClN3O2/c1-2-20-9-14-17-12(15)7-13(18-14)16-8-10-3-5-11(19)6-4-10/h3-7,19H,2,8-9H2,1H3,(H,16,17,18)
InChIKeyVHYTVPHOHUWSFQ-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.98
Rot. Bonds6

About 4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol

4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol (PubChem CID 106196664) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol
PubChem CID106196664
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol
SMILESCCOCc1nc(Cl)cc(NCc2ccc(O)cc2)n1
InChIInChI=1S/C14H16ClN3O2/c1-2-20-9-14-17-12(15)7-13(18-14)16-8-10-3-5-11(19)6-4-10/h3-7,19H,2,8-9H2,1H3,(H,16,17,18)
InChIKeyVHYTVPHOHUWSFQ-UHFFFAOYSA-N
XLogP2.98
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol with MolForge

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Related Compounds

6-chloro-2-(ethoxymethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 113400943
6-chloro-2-(ethoxymethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 114126487
6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 113400806
4-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149272
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 113400798
6-chloro-2-(ethoxymethyl)-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 113450725
6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
CID 106432075
6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
CID 114114416
N-benzyl-6-chloro-2-ethylpyrimidin-4-amine
CID 80935618
6-chloro-2-(ethoxymethyl)-N-[(E)-pent-3-enyl]pyrimidin-4-amine
CID 106195868
1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106149394
6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine
CID 113400811

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol?
The IUPAC name of 4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol (CID 106196664) is 4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol?
The canonical SMILES for 4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol is CCOCc1nc(Cl)cc(NCc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol?
The InChIKey is VHYTVPHOHUWSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-2-20-9-14-17-12(15)7-13(18-14)16-8-10-3-5-11(19)6-4-10/h3-7,19H,2,8-9H2,1H3,(H,16,17,18).
What are the key properties of 4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol?
4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol has a molecular weight of 293.75 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol is sourced from PubChem (CID 106196664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).