4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine

C16H23N5 — CID 112860603

IUPAC4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(NCc2ccccn2)ncn1
InChIInChI=1S/C16H23N5/c1-3-9-21(10-4-2)16-11-15(19-13-20-16)18-12-14-7-5-6-8-17-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,18,19,20)
InChIKeyNSFYCEYYFKHMDA-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.11
Rot. Bonds8

About 4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine

4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112860603) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112860603
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(NCc2ccccn2)ncn1
InChIInChI=1S/C16H23N5/c1-3-9-21(10-4-2)16-11-15(19-13-20-16)18-12-14-7-5-6-8-17-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,18,19,20)
InChIKeyNSFYCEYYFKHMDA-UHFFFAOYSA-N
XLogP3.11
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873254
N,N-dipropyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349598
6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66327754
6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 106972572
6-hydrazinyl-N,N-dipropylpyrimidin-4-amine
CID 80932802
4-N-(3,5-dichlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112860699
N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855662
6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112862527
6-N-ethyl-4-N-methyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 115265672
4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112860644
2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80777163
6-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 53015129

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine (CID 112860603) is 4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine is CCCN(CCC)c1cc(NCc2ccccn2)ncn1.
What is the InChIKey of 4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is NSFYCEYYFKHMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-9-21(10-4-2)16-11-15(19-13-20-16)18-12-14-7-5-6-8-17-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 285.39 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112860603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).