4-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-6-methylpyrimidine-2,4-diamine

C14H25N5O — CID 72858382

IUPAC4-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-6-methylpyrimidine-2,4-diamine
SMILESCOCCCN1CCC(CNc2cc(C)nc(N)n2)C1
InChIInChI=1S/C14H25N5O/c1-11-8-13(18-14(15)17-11)16-9-12-4-6-19(10-12)5-3-7-20-2/h8,12H,3-7,9-10H2,1-2H3,(H3,15,16,17,18)
InChIKeyTUGAMXWRYFILPP-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.14
Rot. Bonds7

About 4-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-6-methylpyrimidine-2,4-diamine

4-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 72858382) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID72858382
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name4-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-6-methylpyrimidine-2,4-diamine
SMILESCOCCCN1CCC(CNc2cc(C)nc(N)n2)C1
InChIInChI=1S/C14H25N5O/c1-11-8-13(18-14(15)17-11)16-9-12-4-6-19(10-12)5-3-7-20-2/h8,12H,3-7,9-10H2,1-2H3,(H3,15,16,17,18)
InChIKeyTUGAMXWRYFILPP-UHFFFAOYSA-N
XLogP1.14
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-6-methylpyrimidine-2,4-diamine (CID 72858382) is 4-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-6-methylpyrimidine-2,4-diamine is COCCCN1CCC(CNc2cc(C)nc(N)n2)C1.
What is the InChIKey of 4-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is TUGAMXWRYFILPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11-8-13(18-14(15)17-11)16-9-12-4-6-19(10-12)5-3-7-20-2/h8,12H,3-7,9-10H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-6-methylpyrimidine-2,4-diamine?
4-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 279.39 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 72858382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).