1-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol

C11H21N5O — CID 72854104

IUPAC1-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol
SMILESCCc1cnc(N)nc1NCC(O)CN(C)C
InChIInChI=1S/C11H21N5O/c1-4-8-5-14-11(12)15-10(8)13-6-9(17)7-16(2)3/h5,9,17H,4,6-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyPXKXADXCJQIAPP-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.04
Rot. Bonds6

About 1-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol

1-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol (PubChem CID 72854104) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol
PubChem CID72854104
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name1-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol
SMILESCCc1cnc(N)nc1NCC(O)CN(C)C
InChIInChI=1S/C11H21N5O/c1-4-8-5-14-11(12)15-10(8)13-6-9(17)7-16(2)3/h5,9,17H,4,6-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyPXKXADXCJQIAPP-UHFFFAOYSA-N
XLogP-0.04
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol (CID 72854104) is 1-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol is CCc1cnc(N)nc1NCC(O)CN(C)C.
What is the InChIKey of 1-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol?
The InChIKey is PXKXADXCJQIAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-8-5-14-11(12)15-10(8)13-6-9(17)7-16(2)3/h5,9,17H,4,6-7H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 1-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol?
1-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol has a molecular weight of 239.32 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 72854104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).