5-(cyclopropylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine

C12H22N6 — CID 67156501

IUPAC5-(cyclopropylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine
SMILESCN(C)CCNc1nc(N)nc(N)c1CC1CC1
InChIInChI=1S/C12H22N6/c1-18(2)6-5-15-11-9(7-8-3-4-8)10(13)16-12(14)17-11/h8H,3-7H2,1-2H3,(H5,13,14,15,16,17)
InChIKeyDMOPZWAKGCAFDL-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.57
Rot. Bonds6

About 5-(cyclopropylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine

5-(cyclopropylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine (PubChem CID 67156501) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine
PubChem CID67156501
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name5-(cyclopropylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine
SMILESCN(C)CCNc1nc(N)nc(N)c1CC1CC1
InChIInChI=1S/C12H22N6/c1-18(2)6-5-15-11-9(7-8-3-4-8)10(13)16-12(14)17-11/h8H,3-7H2,1-2H3,(H5,13,14,15,16,17)
InChIKeyDMOPZWAKGCAFDL-UHFFFAOYSA-N
XLogP0.57
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 5-(cyclopropylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine (CID 67156501) is 5-(cyclopropylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 5-(cyclopropylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 5-(cyclopropylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine is CN(C)CCNc1nc(N)nc(N)c1CC1CC1.
What is the InChIKey of 5-(cyclopropylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine?
The InChIKey is DMOPZWAKGCAFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-18(2)6-5-15-11-9(7-8-3-4-8)10(13)16-12(14)17-11/h8H,3-7H2,1-2H3,(H5,13,14,15,16,17).
What are the key properties of 5-(cyclopropylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine?
5-(cyclopropylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine has a molecular weight of 250.35 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 67156501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).