3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol

C14H26N4O2 — CID 106179231

IUPAC3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
SMILESCCOCc1nc(NC)cc(NC(C)(CC)CCO)n1
InChIInChI=1S/C14H26N4O2/c1-5-14(3,7-8-19)18-12-9-11(15-4)16-13(17-12)10-20-6-2/h9,19H,5-8,10H2,1-4H3,(H2,15,16,17,18)
InChIKeyFKWZALPXAHDSGB-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.02
Rot. Bonds9

About 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol

3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol (PubChem CID 106179231) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
PubChem CID106179231
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
SMILESCCOCc1nc(NC)cc(NC(C)(CC)CCO)n1
InChIInChI=1S/C14H26N4O2/c1-5-14(3,7-8-19)18-12-9-11(15-4)16-13(17-12)10-20-6-2/h9,19H,5-8,10H2,1-4H3,(H2,15,16,17,18)
InChIKeyFKWZALPXAHDSGB-UHFFFAOYSA-N
XLogP2.02
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pentan-1-ol
CID 106179091
3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179082
2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine
CID 114174651
3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 113401644
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106179255
4-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149886
4-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149272
4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 113401247
2-(ethoxymethyl)-4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401288
4-N-(2-cyclopropylethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401538
3-methyl-3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106179204
4-N-(cyclobutylmethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401346

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol (CID 106179231) is 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol is CCOCc1nc(NC)cc(NC(C)(CC)CCO)n1.
What is the InChIKey of 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol?
The InChIKey is FKWZALPXAHDSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-14(3,7-8-19)18-12-9-11(15-4)16-13(17-12)10-20-6-2/h9,19H,5-8,10H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol?
3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol has a molecular weight of 282.39 g/mol, XLogP of 2.02, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106179231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).