6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine

C16H29N5 — CID 80814287

IUPAC6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)CCN2CCCC2)c1C(C)C
InChIInChI=1S/C16H29N5/c1-5-17-15-14(13(2)3)16(19-12-18-15)20(4)10-11-21-8-6-7-9-21/h12-13H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyUQBGBLCSUKYMSI-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.56
Rot. Bonds7

About 6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine

6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80814287) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
PubChem CID80814287
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)CCN2CCCC2)c1C(C)C
InChIInChI=1S/C16H29N5/c1-5-17-15-14(13(2)3)16(19-12-18-15)20(4)10-11-21-8-6-7-9-21/h12-13H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyUQBGBLCSUKYMSI-UHFFFAOYSA-N
XLogP2.56
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 81067670
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80848616
4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80761918
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80787141
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80810135
6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80780441
5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80879410
4-N,6-N-diethyl-4-N-(2-methylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80774341
6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804448
6-N-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80818951
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80769699
6-hydrazinyl-N-methyl-5-nitro-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80914009

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine (CID 80814287) is 6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine is CCNc1ncnc(N(C)CCN2CCCC2)c1C(C)C.
What is the InChIKey of 6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is UQBGBLCSUKYMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-5-17-15-14(13(2)3)16(19-12-18-15)20(4)10-11-21-8-6-7-9-21/h12-13H,5-11H2,1-4H3,(H,17,18,19).
What are the key properties of 6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80814287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).