1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol

C14H26N4O2 — CID 107159530

IUPAC1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
SMILESCCOCc1nc(N)cc(NCC(O)CC(C)(C)C)n1
InChIInChI=1S/C14H26N4O2/c1-5-20-9-13-17-11(15)6-12(18-13)16-8-10(19)7-14(2,3)4/h6,10,19H,5,7-9H2,1-4H3,(H3,15,16,17,18)
InChIKeyGTVKGZNSTNTQLD-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.80
Rot. Bonds7

About 1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol

1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol (PubChem CID 107159530) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
PubChem CID107159530
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
SMILESCCOCc1nc(N)cc(NCC(O)CC(C)(C)C)n1
InChIInChI=1S/C14H26N4O2/c1-5-20-9-13-17-11(15)6-12(18-13)16-8-10(19)7-14(2,3)4/h6,10,19H,5,7-9H2,1-4H3,(H3,15,16,17,18)
InChIKeyGTVKGZNSTNTQLD-UHFFFAOYSA-N
XLogP1.80
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159526
2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine
CID 114174651
3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide
CID 113401379
1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159476
1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107154937
2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 106198708
2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 113401566
4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine
CID 113401294
2-(ethoxymethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
CID 106219460
2-(ethoxymethyl)-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 106029091
3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol
CID 106118665
1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159494

Frequently Asked Questions

What is the IUPAC name of 1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol (CID 107159530) is 1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol is CCOCc1nc(N)cc(NCC(O)CC(C)(C)C)n1.
What is the InChIKey of 1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol?
The InChIKey is GTVKGZNSTNTQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-20-9-13-17-11(15)6-12(18-13)16-8-10(19)7-14(2,3)4/h6,10,19H,5,7-9H2,1-4H3,(H3,15,16,17,18).
What are the key properties of 1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol?
1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol has a molecular weight of 282.39 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107159530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).