6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-propan-2-ylpyrimidin-4-amine

C14H25N5 — CID 80825349

IUPAC6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1N1CCCC1CN(C)C
InChIInChI=1S/C14H25N5/c1-10(2)12-13(15)16-9-17-14(12)19-7-5-6-11(19)8-18(3)4/h9-11H,5-8H2,1-4H3,(H2,15,16,17)
InChIKeyLNLOOPBQXPCHBA-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.71
Rot. Bonds4

About 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-propan-2-ylpyrimidin-4-amine

6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80825349) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-propan-2-ylpyrimidin-4-amine
PubChem CID80825349
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1N1CCCC1CN(C)C
InChIInChI=1S/C14H25N5/c1-10(2)12-13(15)16-9-17-14(12)19-7-5-6-11(19)8-18(3)4/h9-11H,5-8H2,1-4H3,(H2,15,16,17)
InChIKeyLNLOOPBQXPCHBA-UHFFFAOYSA-N
XLogP1.71
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-propan-2-ylpyrimidin-4-amine (CID 80825349) is 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(N)ncnc1N1CCCC1CN(C)C.
What is the InChIKey of 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is LNLOOPBQXPCHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-10(2)12-13(15)16-9-17-14(12)19-7-5-6-11(19)8-18(3)4/h9-11H,5-8H2,1-4H3,(H2,15,16,17).
What are the key properties of 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-propan-2-ylpyrimidin-4-amine?
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 263.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80825349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).