(3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol

C12H21N5O — CID 50978922

IUPAC(3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCN(CC)c1nc(N)cc(N2CC[C@@H](O)C2)n1
InChIInChI=1S/C12H21N5O/c1-3-16(4-2)12-14-10(13)7-11(15-12)17-6-5-9(18)8-17/h7,9,18H,3-6,8H2,1-2H3,(H2,13,14,15)/t9-/m1/s1
InChIKeyVXVVSTSYHXKELU-SECBINFHSA-N
MW251.33 g/mol
LogP0.48
Rot. Bonds4

About (3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol

(3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 50978922) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is (3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID50978922
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name(3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCN(CC)c1nc(N)cc(N2CC[C@@H](O)C2)n1
InChIInChI=1S/C12H21N5O/c1-3-16(4-2)12-14-10(13)7-11(15-12)17-6-5-9(18)8-17/h7,9,18H,3-6,8H2,1-2H3,(H2,13,14,15)/t9-/m1/s1
InChIKeyVXVVSTSYHXKELU-SECBINFHSA-N
XLogP0.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol (CID 50978922) is (3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol is CCN(CC)c1nc(N)cc(N2CC[C@@H](O)C2)n1.
What is the InChIKey of (3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is VXVVSTSYHXKELU-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-16(4-2)12-14-10(13)7-11(15-12)17-6-5-9(18)8-17/h7,9,18H,3-6,8H2,1-2H3,(H2,13,14,15)/t9-/m1/s1.
What are the key properties of (3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
(3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 251.33 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 50978922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).