6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine

C9H15N5O — CID 103541717

IUPAC6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
SMILESCOC1CCN(c2cc(N)nc(N)n2)C1
InChIInChI=1S/C9H15N5O/c1-15-6-2-3-14(5-6)8-4-7(10)12-9(11)13-8/h4,6H,2-3,5H2,1H3,(H4,10,11,12,13)
InChIKeyNGLBAPLXDMGFNL-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.13
Rot. Bonds2

About 6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine

6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine (PubChem CID 103541717) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
PubChem CID103541717
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
SMILESCOC1CCN(c2cc(N)nc(N)n2)C1
InChIInChI=1S/C9H15N5O/c1-15-6-2-3-14(5-6)8-4-7(10)12-9(11)13-8/h4,6H,2-3,5H2,1H3,(H4,10,11,12,13)
InChIKeyNGLBAPLXDMGFNL-UHFFFAOYSA-N
XLogP-0.13
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 122491269
4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine
CID 103541763
6-(3-methoxypyrrolidin-1-yl)pyrazin-2-amine
CID 103541702
6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine
CID 102971529
6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine
CID 80792622
4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine
CID 108773094
2-(3-methoxypyrrolidin-1-yl)-5-methylpyridin-4-amine
CID 103530467
6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 103541803
2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-amine
CID 102547220
2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine
CID 154661534
4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 103536578
6-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyrimidine-2,4-diamine
CID 72914782

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine (CID 103541717) is 6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine is COC1CCN(c2cc(N)nc(N)n2)C1.
What is the InChIKey of 6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is NGLBAPLXDMGFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-15-6-2-3-14(5-6)8-4-7(10)12-9(11)13-8/h4,6H,2-3,5H2,1H3,(H4,10,11,12,13).
What are the key properties of 6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine?
6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 209.25 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 103541717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).