N,N-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidin-4-amine

C13H20N4O — CID 133465344

IUPACN,N-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidin-4-amine
SMILESC=CCOC1CCN(c2nccc(N(C)C)n2)C1
InChIInChI=1S/C13H20N4O/c1-4-9-18-11-6-8-17(10-11)13-14-7-5-12(15-13)16(2)3/h4-5,7,11H,1,6,8-10H2,2-3H3
InChIKeyRQQHKMSXNNCTQV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.32
Rot. Bonds5

About N,N-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidin-4-amine

N,N-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidin-4-amine (PubChem CID 133465344) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidin-4-amine
PubChem CID133465344
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN,N-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidin-4-amine
SMILESC=CCOC1CCN(c2nccc(N(C)C)n2)C1
InChIInChI=1S/C13H20N4O/c1-4-9-18-11-6-8-17(10-11)13-14-7-5-12(15-13)16(2)3/h4-5,7,11H,1,6,8-10H2,2-3H3
InChIKeyRQQHKMSXNNCTQV-UHFFFAOYSA-N
XLogP1.32
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[3-(3-methylbutoxy)pyrrolidin-1-yl]pyrimidin-4-amine
CID 91645774
N,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine
CID 171701964
4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine
CID 133465389
ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate
CID 133365954
2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 126892620
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea
CID 166603397
2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 133365840
N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-3-yl]methanesulfonamide
CID 163352763
2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 163345462
N-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
CID 171335629
N,N-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidin-4-amine
CID 126893881
[2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542321

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidin-4-amine (CID 133465344) is N,N-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidin-4-amine is C=CCOC1CCN(c2nccc(N(C)C)n2)C1.
What is the InChIKey of N,N-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidin-4-amine?
The InChIKey is RQQHKMSXNNCTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-9-18-11-6-8-17(10-11)13-14-7-5-12(15-13)16(2)3/h4-5,7,11H,1,6,8-10H2,2-3H3.
What are the key properties of N,N-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidin-4-amine?
N,N-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidin-4-amine has a molecular weight of 248.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 133465344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).