N,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine

C14H25N5 — CID 64831286

IUPACN,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCCCNCC1CCCN1c1ccnc(N(C)C)n1
InChIInChI=1S/C14H25N5/c1-4-8-15-11-12-6-5-10-19(12)13-7-9-16-14(17-13)18(2)3/h7,9,12,15H,4-6,8,10-11H2,1-3H3
InChIKeyDHAOZVYQSDVOBZ-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.51
Rot. Bonds6

About N,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine

N,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 64831286) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID64831286
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC NameN,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCCCNCC1CCCN1c1ccnc(N(C)C)n1
InChIInChI=1S/C14H25N5/c1-4-8-15-11-12-6-5-10-19(12)13-7-9-16-14(17-13)18(2)3/h7,9,12,15H,4-6,8,10-11H2,1-3H3
InChIKeyDHAOZVYQSDVOBZ-UHFFFAOYSA-N
XLogP1.51
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine (CID 64831286) is N,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine is CCCNCC1CCCN1c1ccnc(N(C)C)n1.
What is the InChIKey of N,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is DHAOZVYQSDVOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-4-8-15-11-12-6-5-10-19(12)13-7-9-16-14(17-13)18(2)3/h7,9,12,15H,4-6,8,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
N,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 263.39 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 64831286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).