2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol

C13H24N4O2 — CID 106198670

IUPAC2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol
SMILESCCNc1cc(NC(CO)COC)nc(C(C)C)n1
InChIInChI=1S/C13H24N4O2/c1-5-14-11-6-12(15-10(7-18)8-19-4)17-13(16-11)9(2)3/h6,9-10,18H,5,7-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyOBPPNSHLSFPXJH-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.45
Rot. Bonds8

About 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol

2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol (PubChem CID 106198670) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol
PubChem CID106198670
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol
SMILESCCNc1cc(NC(CO)COC)nc(C(C)C)n1
InChIInChI=1S/C13H24N4O2/c1-5-14-11-6-12(15-10(7-18)8-19-4)17-13(16-11)9(2)3/h6,9-10,18H,5,7-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyOBPPNSHLSFPXJH-UHFFFAOYSA-N
XLogP1.45
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163180
6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955647
4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959645
methyl 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80961777
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163088
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152267
5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106163373
6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine
CID 80837603
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
CID 80950028
4-N-(2-ethoxyethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967942
6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80958688
6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine
CID 80933516

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol (CID 106198670) is 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol is CCNc1cc(NC(CO)COC)nc(C(C)C)n1.
What is the InChIKey of 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol?
The InChIKey is OBPPNSHLSFPXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-14-11-6-12(15-10(7-18)8-19-4)17-13(16-11)9(2)3/h6,9-10,18H,5,7-8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol?
2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 1.45, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106198670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).