N,N,4-trimethyl-6-[1-(4-methyl-1,4-diazepan-1-yl)hex-5-en-2-yloxy]pyrimidin-2-amine

C19H33N5O — CID 56910058

IUPACN,N,4-trimethyl-6-[1-(4-methyl-1,4-diazepan-1-yl)hex-5-en-2-yloxy]pyrimidin-2-amine
SMILESC=CCCC(CN1CCCN(C)CC1)Oc1cc(C)nc(N(C)C)n1
InChIInChI=1S/C19H33N5O/c1-6-7-9-17(15-24-11-8-10-23(5)12-13-24)25-18-14-16(2)20-19(21-18)22(3)4/h6,14,17H,1,7-13,15H2,2-5H3
InChIKeyLBSZUYQQLWFVQA-UHFFFAOYSA-N
MW347.51 g/mol
LogP2.20
Rot. Bonds8

About N,N,4-trimethyl-6-[1-(4-methyl-1,4-diazepan-1-yl)hex-5-en-2-yloxy]pyrimidin-2-amine

N,N,4-trimethyl-6-[1-(4-methyl-1,4-diazepan-1-yl)hex-5-en-2-yloxy]pyrimidin-2-amine (PubChem CID 56910058) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is N,N,4-trimethyl-6-[1-(4-methyl-1,4-diazepan-1-yl)hex-5-en-2-yloxy]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-6-[1-(4-methyl-1,4-diazepan-1-yl)hex-5-en-2-yloxy]pyrimidin-2-amine
PubChem CID56910058
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC NameN,N,4-trimethyl-6-[1-(4-methyl-1,4-diazepan-1-yl)hex-5-en-2-yloxy]pyrimidin-2-amine
SMILESC=CCCC(CN1CCCN(C)CC1)Oc1cc(C)nc(N(C)C)n1
InChIInChI=1S/C19H33N5O/c1-6-7-9-17(15-24-11-8-10-23(5)12-13-24)25-18-14-16(2)20-19(21-18)22(3)4/h6,14,17H,1,7-13,15H2,2-5H3
InChIKeyLBSZUYQQLWFVQA-UHFFFAOYSA-N
XLogP2.20
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-6-[1-(4-methyl-1,4-diazepan-1-yl)hex-5-en-2-yloxy]pyrimidin-2-amine?
The IUPAC name of N,N,4-trimethyl-6-[1-(4-methyl-1,4-diazepan-1-yl)hex-5-en-2-yloxy]pyrimidin-2-amine (CID 56910058) is N,N,4-trimethyl-6-[1-(4-methyl-1,4-diazepan-1-yl)hex-5-en-2-yloxy]pyrimidin-2-amine.
What is the SMILES notation for N,N,4-trimethyl-6-[1-(4-methyl-1,4-diazepan-1-yl)hex-5-en-2-yloxy]pyrimidin-2-amine?
The canonical SMILES for N,N,4-trimethyl-6-[1-(4-methyl-1,4-diazepan-1-yl)hex-5-en-2-yloxy]pyrimidin-2-amine is C=CCCC(CN1CCCN(C)CC1)Oc1cc(C)nc(N(C)C)n1.
What is the InChIKey of N,N,4-trimethyl-6-[1-(4-methyl-1,4-diazepan-1-yl)hex-5-en-2-yloxy]pyrimidin-2-amine?
The InChIKey is LBSZUYQQLWFVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-6-7-9-17(15-24-11-8-10-23(5)12-13-24)25-18-14-16(2)20-19(21-18)22(3)4/h6,14,17H,1,7-13,15H2,2-5H3.
What are the key properties of N,N,4-trimethyl-6-[1-(4-methyl-1,4-diazepan-1-yl)hex-5-en-2-yloxy]pyrimidin-2-amine?
N,N,4-trimethyl-6-[1-(4-methyl-1,4-diazepan-1-yl)hex-5-en-2-yloxy]pyrimidin-2-amine has a molecular weight of 347.51 g/mol, XLogP of 2.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-6-[1-(4-methyl-1,4-diazepan-1-yl)hex-5-en-2-yloxy]pyrimidin-2-amine is sourced from PubChem (CID 56910058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).