N-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine

C17H29N3O — CID 80685788

IUPACN-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(C2(C)CCCCO2)nc1C
InChIInChI=1S/C17H29N3O/c1-5-10-18-11-8-15-13(2)19-16(20-14(15)3)17(4)9-6-7-12-21-17/h18H,5-12H2,1-4H3
InChIKeyRMWCQFLMRYGNMA-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.05
Rot. Bonds6

About N-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine

N-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine (PubChem CID 80685788) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine
PubChem CID80685788
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(C2(C)CCCCO2)nc1C
InChIInChI=1S/C17H29N3O/c1-5-10-18-11-8-15-13(2)19-16(20-14(15)3)17(4)9-6-7-12-21-17/h18H,5-12H2,1-4H3
InChIKeyRMWCQFLMRYGNMA-UHFFFAOYSA-N
XLogP3.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine (CID 80685788) is N-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine is CCCNCCc1c(C)nc(C2(C)CCCCO2)nc1C.
What is the InChIKey of N-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine?
The InChIKey is RMWCQFLMRYGNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-10-18-11-8-15-13(2)19-16(20-14(15)3)17(4)9-6-7-12-21-17/h18H,5-12H2,1-4H3.
What are the key properties of N-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine?
N-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 80685788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).