1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol

C14H26N4O2 — CID 80954748

IUPAC1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
SMILESCCCc1nc(NCC)cc(N(C)CC(O)COC)n1
InChIInChI=1S/C14H26N4O2/c1-5-7-12-16-13(15-6-2)8-14(17-12)18(3)9-11(19)10-20-4/h8,11,19H,5-7,9-10H2,1-4H3,(H,15,16,17)
InChIKeyIXRJBKXYGJCTIZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.30
Rot. Bonds9

About 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol

1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol (PubChem CID 80954748) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
PubChem CID80954748
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
SMILESCCCc1nc(NCC)cc(N(C)CC(O)COC)n1
InChIInChI=1S/C14H26N4O2/c1-5-7-12-16-13(15-6-2)8-14(17-12)18(3)9-11(19)10-20-4/h8,11,19H,5-7,9-10H2,1-4H3,(H,15,16,17)
InChIKeyIXRJBKXYGJCTIZ-UHFFFAOYSA-N
XLogP1.30
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine
CID 80941613
6-N-ethyl-4-N,4-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80946313
4-N-(2-methoxyethyl)-4-N-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954731
4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945395
1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 106248740
4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954589
4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine
CID 113401240
N-cyclopropyl-2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]acetamide
CID 80941047
6-N-ethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine
CID 80950474
1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 113400905
2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 80940171
1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80811552

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol (CID 80954748) is 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol is CCCc1nc(NCC)cc(N(C)CC(O)COC)n1.
What is the InChIKey of 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The InChIKey is IXRJBKXYGJCTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-7-12-16-13(15-6-2)8-14(17-12)18(3)9-11(19)10-20-4/h8,11,19H,5-7,9-10H2,1-4H3,(H,15,16,17).
What are the key properties of 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol has a molecular weight of 282.39 g/mol, XLogP of 1.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 80954748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).