1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C11H19N5O — CID 80856576

IUPAC1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1ccnc(N)n1
InChIInChI=1S/C11H19N5O/c1-15(2)6-8-5-9(17)7-16(8)10-3-4-13-11(12)14-10/h3-4,8-9,17H,5-7H2,1-2H3,(H2,12,13,14)
InChIKeyDQVNRYDNVLJALU-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.44
Rot. Bonds3

About 1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 80856576) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID80856576
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1ccnc(N)n1
InChIInChI=1S/C11H19N5O/c1-15(2)6-8-5-9(17)7-16(8)10-3-4-13-11(12)14-10/h3-4,8-9,17H,5-7H2,1-2H3,(H2,12,13,14)
InChIKeyDQVNRYDNVLJALU-UHFFFAOYSA-N
XLogP-0.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 80856576) is 1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1c1ccnc(N)n1.
What is the InChIKey of 1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is DQVNRYDNVLJALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-15(2)6-8-5-9(17)7-16(8)10-3-4-13-11(12)14-10/h3-4,8-9,17H,5-7H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 237.31 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 80856576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).