4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine

C13H21N5O — CID 66741197

IUPAC4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
SMILESCNC1CCN(c2cc([C@H]3CCOC3)nc(N)n2)C1
InChIInChI=1S/C13H21N5O/c1-15-10-2-4-18(7-10)12-6-11(16-13(14)17-12)9-3-5-19-8-9/h6,9-10,15H,2-5,7-8H2,1H3,(H2,14,16,17)/t9-,10?/m0/s1
InChIKeyNGWPGFYRKFEGPJ-RGURZIINSA-N
MW263.34 g/mol
LogP0.36
Rot. Bonds3

About 4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine

4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine (PubChem CID 66741197) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
PubChem CID66741197
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
SMILESCNC1CCN(c2cc([C@H]3CCOC3)nc(N)n2)C1
InChIInChI=1S/C13H21N5O/c1-15-10-2-4-18(7-10)12-6-11(16-13(14)17-12)9-3-5-19-8-9/h6,9-10,15H,2-5,7-8H2,1H3,(H2,14,16,17)/t9-,10?/m0/s1
InChIKeyNGWPGFYRKFEGPJ-RGURZIINSA-N
XLogP0.36
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine (CID 66741197) is 4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine is CNC1CCN(c2cc([C@H]3CCOC3)nc(N)n2)C1.
What is the InChIKey of 4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine?
The InChIKey is NGWPGFYRKFEGPJ-RGURZIINSA-N. The full InChI is InChI=1S/C13H21N5O/c1-15-10-2-4-18(7-10)12-6-11(16-13(14)17-12)9-3-5-19-8-9/h6,9-10,15H,2-5,7-8H2,1H3,(H2,14,16,17)/t9-,10?/m0/s1.
What are the key properties of 4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine?
4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 66741197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).