6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine

C10H17N5O — CID 80870818

IUPAC6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine
SMILESNc1cc(OCCN2CCCC2)nc(N)n1
InChIInChI=1S/C10H17N5O/c11-8-7-9(14-10(12)13-8)16-6-5-15-3-1-2-4-15/h7H,1-6H2,(H4,11,12,13,14)
InChIKeyQNQVSXOWIRMUIE-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.12
Rot. Bonds4

About 6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine

6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine (PubChem CID 80870818) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine
PubChem CID80870818
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine
SMILESNc1cc(OCCN2CCCC2)nc(N)n1
InChIInChI=1S/C10H17N5O/c11-8-7-9(14-10(12)13-8)16-6-5-15-3-1-2-4-15/h7H,1-6H2,(H4,11,12,13,14)
InChIKeyQNQVSXOWIRMUIE-UHFFFAOYSA-N
XLogP0.12
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774343
[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80920622
6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine
CID 80877647
2-(2-piperidin-1-ylethoxy)quinolin-6-amine
CID 61104220
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine
CID 112590841
N,4-dimethyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-amine
CID 80871543
6-(2-morpholin-4-ylethoxy)-2-pyridin-4-ylpyrimidin-4-amine
CID 143229854
[2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80979368
[2-cyclopropyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80980380
N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80870434
4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80871304
5-bromo-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine
CID 80870583

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine (CID 80870818) is 6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine is Nc1cc(OCCN2CCCC2)nc(N)n1.
What is the InChIKey of 6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine?
The InChIKey is QNQVSXOWIRMUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c11-8-7-9(14-10(12)13-8)16-6-5-15-3-1-2-4-15/h7H,1-6H2,(H4,11,12,13,14).
What are the key properties of 6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine?
6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine has a molecular weight of 223.28 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 80870818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).