2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine

C13H24N4O — CID 114174651

IUPAC2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine
SMILESCCOCc1nc(N)cc(NC(C)(CC)CC)n1
InChIInChI=1S/C13H24N4O/c1-5-13(4,6-2)17-11-8-10(14)15-12(16-11)9-18-7-3/h8H,5-7,9H2,1-4H3,(H3,14,15,16,17)
InChIKeyDSDMICGSEADGJL-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.59
Rot. Bonds7

About 2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine

2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine (PubChem CID 114174651) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine
PubChem CID114174651
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine
SMILESCCOCc1nc(N)cc(NC(C)(CC)CC)n1
InChIInChI=1S/C13H24N4O/c1-5-13(4,6-2)17-11-8-10(14)15-12(16-11)9-18-7-3/h8H,5-7,9H2,1-4H3,(H3,14,15,16,17)
InChIKeyDSDMICGSEADGJL-UHFFFAOYSA-N
XLogP2.59
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179231
1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159530
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106179255
3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide
CID 113401379
4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine
CID 113401294
2-(ethoxymethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
CID 106219460
4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 113401247
2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 113401566
2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 106198708
4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 106332100
2-(ethoxymethyl)-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 106029091
3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 114143246

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine (CID 114174651) is 2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine is CCOCc1nc(N)cc(NC(C)(CC)CC)n1.
What is the InChIKey of 2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine?
The InChIKey is DSDMICGSEADGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-13(4,6-2)17-11-8-10(14)15-12(16-11)9-18-7-3/h8H,5-7,9H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine?
2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 114174651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).