5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine

C16H28N4O — CID 80879410

IUPAC5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
SMILESCCCNc1ncnc(OCCN2CCCC2)c1C(C)C
InChIInChI=1S/C16H28N4O/c1-4-7-17-15-14(13(2)3)16(19-12-18-15)21-11-10-20-8-5-6-9-20/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyUKMKHZFIUOLULA-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.90
Rot. Bonds8

About 5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine

5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine (PubChem CID 80879410) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
PubChem CID80879410
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
SMILESCCCNc1ncnc(OCCN2CCCC2)c1C(C)C
InChIInChI=1S/C16H28N4O/c1-4-7-17-15-14(13(2)3)16(19-12-18-15)21-11-10-20-8-5-6-9-20/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyUKMKHZFIUOLULA-UHFFFAOYSA-N
XLogP2.90
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80858384
6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 103286435
6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804448
6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 116794391
6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 102989487
6-(oxolan-2-ylmethoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80859543
N-methyl-6-(2-piperidin-1-ylethoxy)-5-propylpyrimidin-4-amine
CID 80870502
6-(oxan-4-yloxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80872308
6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80749906
6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80814287
4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80772911
[5-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80920960

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine?
The IUPAC name of 5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine (CID 80879410) is 5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine?
The canonical SMILES for 5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine is CCCNc1ncnc(OCCN2CCCC2)c1C(C)C.
What is the InChIKey of 5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine?
The InChIKey is UKMKHZFIUOLULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-7-17-15-14(13(2)3)16(19-12-18-15)21-11-10-20-8-5-6-9-20/h12-13H,4-11H2,1-3H3,(H,17,18,19).
What are the key properties of 5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine?
5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine has a molecular weight of 292.43 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80879410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).