3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol

C15H26N4O2 — CID 106103523

IUPAC3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol
SMILESCCNc1ncnc(NCC2(O)CCOC2C)c1C(C)C
InChIInChI=1S/C15H26N4O2/c1-5-16-13-12(10(2)3)14(19-9-18-13)17-8-15(20)6-7-21-11(15)4/h9-11,20H,5-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyBDPRSESBBHJNOJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.98
Rot. Bonds6

About 3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol

3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106103523) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol
PubChem CID106103523
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol
SMILESCCNc1ncnc(NCC2(O)CCOC2C)c1C(C)C
InChIInChI=1S/C15H26N4O2/c1-5-16-13-12(10(2)3)14(19-9-18-13)17-8-15(20)6-7-21-11(15)4/h9-11,20H,5-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyBDPRSESBBHJNOJ-UHFFFAOYSA-N
XLogP1.98
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol with MolForge

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Related Compounds

2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 114143795
3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol
CID 107269634
3-[[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol
CID 106103575
3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 114143769
3-[[(6-amino-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103547
2-methyl-3-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]oxolan-3-ol
CID 106102331
3-[[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106102324
3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
CID 114143335
4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 81132173
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 80771693
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051
1-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80908970

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol (CID 106103523) is 3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol is CCNc1ncnc(NCC2(O)CCOC2C)c1C(C)C.
What is the InChIKey of 3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is BDPRSESBBHJNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-16-13-12(10(2)3)14(19-9-18-13)17-8-15(20)6-7-21-11(15)4/h9-11,20H,5-8H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol?
3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 294.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106103523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).