N-ethyl-N-propan-2-yl-5-(propylaminomethyl)pyrimidin-4-amine

C13H24N4 — CID 114215953

IUPACN-ethyl-N-propan-2-yl-5-(propylaminomethyl)pyrimidin-4-amine
SMILESCCCNCc1cncnc1N(CC)C(C)C
InChIInChI=1S/C13H24N4/c1-5-7-14-8-12-9-15-10-16-13(12)17(6-2)11(3)4/h9-11,14H,5-8H2,1-4H3
InChIKeyDNLFEAXMFJXWOI-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.21
Rot. Bonds7

About N-ethyl-N-propan-2-yl-5-(propylaminomethyl)pyrimidin-4-amine

N-ethyl-N-propan-2-yl-5-(propylaminomethyl)pyrimidin-4-amine (PubChem CID 114215953) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-ethyl-N-propan-2-yl-5-(propylaminomethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-propan-2-yl-5-(propylaminomethyl)pyrimidin-4-amine
PubChem CID114215953
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-ethyl-N-propan-2-yl-5-(propylaminomethyl)pyrimidin-4-amine
SMILESCCCNCc1cncnc1N(CC)C(C)C
InChIInChI=1S/C13H24N4/c1-5-7-14-8-12-9-15-10-16-13(12)17(6-2)11(3)4/h9-11,14H,5-8H2,1-4H3
InChIKeyDNLFEAXMFJXWOI-UHFFFAOYSA-N
XLogP2.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.21
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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Related Compounds

N-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine
CID 114216358
N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 114216052
5-(ethylaminomethyl)-N-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 114216039
2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine
CID 81249761
N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072908
2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine
CID 81249966
3-chloro-N-ethyl-N-propan-2-yl-4-(propylaminomethyl)aniline
CID 114064614
N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline
CID 62134332
N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
CID 105389291
5-(ethylaminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 114216442
5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine
CID 62285133
N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 115505732

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-yl-5-(propylaminomethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-N-propan-2-yl-5-(propylaminomethyl)pyrimidin-4-amine (CID 114215953) is N-ethyl-N-propan-2-yl-5-(propylaminomethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-N-propan-2-yl-5-(propylaminomethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-N-propan-2-yl-5-(propylaminomethyl)pyrimidin-4-amine is CCCNCc1cncnc1N(CC)C(C)C.
What is the InChIKey of N-ethyl-N-propan-2-yl-5-(propylaminomethyl)pyrimidin-4-amine?
The InChIKey is DNLFEAXMFJXWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-7-14-8-12-9-15-10-16-13(12)17(6-2)11(3)4/h9-11,14H,5-8H2,1-4H3.
What are the key properties of N-ethyl-N-propan-2-yl-5-(propylaminomethyl)pyrimidin-4-amine?
N-ethyl-N-propan-2-yl-5-(propylaminomethyl)pyrimidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-yl-5-(propylaminomethyl)pyrimidin-4-amine is sourced from PubChem (CID 114215953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).