4-N-[3-(dimethylamino)propyl]-4-N-ethyl-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine

C16H31N5 — CID 102998896

IUPAC4-N-[3-(dimethylamino)propyl]-4-N-ethyl-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCN(CCCN(C)C)c1nc(C(C)C)nc(NC)c1C
InChIInChI=1S/C16H31N5/c1-8-21(11-9-10-20(6)7)16-13(4)15(17-5)18-14(19-16)12(2)3/h12H,8-11H2,1-7H3,(H,17,18,19)
InChIKeyQLYGARSMGCPZJY-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.73
Rot. Bonds8

About 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-[3-(dimethylamino)propyl]-4-N-ethyl-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 102998896) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-4-N-ethyl-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID102998896
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name4-N-[3-(dimethylamino)propyl]-4-N-ethyl-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCN(CCCN(C)C)c1nc(C(C)C)nc(NC)c1C
InChIInChI=1S/C16H31N5/c1-8-21(11-9-10-20(6)7)16-13(4)15(17-5)18-14(19-16)12(2)3/h12H,8-11H2,1-7H3,(H,17,18,19)
InChIKeyQLYGARSMGCPZJY-UHFFFAOYSA-N
XLogP2.73
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 102998896) is 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is CCN(CCCN(C)C)c1nc(C(C)C)nc(NC)c1C.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is QLYGARSMGCPZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-8-21(11-9-10-20(6)7)16-13(4)15(17-5)18-14(19-16)12(2)3/h12H,8-11H2,1-7H3,(H,17,18,19).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 293.46 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-4-N-ethyl-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 102998896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).