1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]pyrrolidin-3-ol

C12H21N5O — CID 66903092

IUPAC1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]pyrrolidin-3-ol
SMILESCN(C)CCNc1ccnc(N2CCC(O)C2)n1
InChIInChI=1S/C12H21N5O/c1-16(2)8-6-13-11-3-5-14-12(15-11)17-7-4-10(18)9-17/h3,5,10,18H,4,6-9H2,1-2H3,(H,13,14,15)
InChIKeyBOJYSXNWJWQBTP-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.02
Rot. Bonds5

About 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]pyrrolidin-3-ol

1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]pyrrolidin-3-ol (PubChem CID 66903092) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]pyrrolidin-3-ol
PubChem CID66903092
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]pyrrolidin-3-ol
SMILESCN(C)CCNc1ccnc(N2CCC(O)C2)n1
InChIInChI=1S/C12H21N5O/c1-16(2)8-6-13-11-3-5-14-12(15-11)17-7-4-10(18)9-17/h3,5,10,18H,4,6-9H2,1-2H3,(H,13,14,15)
InChIKeyBOJYSXNWJWQBTP-UHFFFAOYSA-N
XLogP0.02
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]pyrrolidin-3-ol (CID 66903092) is 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]pyrrolidin-3-ol is CN(C)CCNc1ccnc(N2CCC(O)C2)n1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]pyrrolidin-3-ol?
The InChIKey is BOJYSXNWJWQBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-16(2)8-6-13-11-3-5-14-12(15-11)17-7-4-10(18)9-17/h3,5,10,18H,4,6-9H2,1-2H3,(H,13,14,15).
What are the key properties of 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]pyrrolidin-3-ol?
1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]pyrrolidin-3-ol has a molecular weight of 251.33 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 66903092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).