4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine

C15H21N5 — CID 80965607

IUPAC4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCN(Cc1ccccn1)c1cc(N)nc(C(C)C)n1
InChIInChI=1S/C15H21N5/c1-4-20(10-12-7-5-6-8-17-12)14-9-13(16)18-15(19-14)11(2)3/h5-9,11H,4,10H2,1-3H3,(H2,16,18,19)
InChIKeyFPBLHWRFCFBDPA-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.60
Rot. Bonds5

About 4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine

4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80965607) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80965607
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCN(Cc1ccccn1)c1cc(N)nc(C(C)C)n1
InChIInChI=1S/C15H21N5/c1-4-20(10-12-7-5-6-8-17-12)14-9-13(16)18-15(19-14)11(2)3/h5-9,11H,4,10H2,1-3H3,(H2,16,18,19)
InChIKeyFPBLHWRFCFBDPA-UHFFFAOYSA-N
XLogP2.60
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967666
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 102998858
6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716058
N,2-diethyl-6-hydrazinyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80937399
N-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80943671
N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
N-ethyl-6-hydrazinyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 80927004
6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 80947381
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 80956167
6-chloro-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 118063119
4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80851701
6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde
CID 80632829

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine (CID 80965607) is 4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine is CCN(Cc1ccccn1)c1cc(N)nc(C(C)C)n1.
What is the InChIKey of 4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is FPBLHWRFCFBDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-20(10-12-7-5-6-8-17-12)14-9-13(16)18-15(19-14)11(2)3/h5-9,11H,4,10H2,1-3H3,(H2,16,18,19).
What are the key properties of 4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80965607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).