4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine

C14H22N4 — CID 80835345

IUPAC4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC2CC2)CC2CC2)ncn1
InChIInChI=1S/C14H22N4/c1-2-15-13-7-14(17-10-16-13)18(8-11-3-4-11)9-12-5-6-12/h7,10-12H,2-6,8-9H2,1H3,(H,15,16,17)
InChIKeyYEBWRTUKJKDZBE-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.53
Rot. Bonds7

About 4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine

4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 80835345) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine
PubChem CID80835345
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC2CC2)CC2CC2)ncn1
InChIInChI=1S/C14H22N4/c1-2-15-13-7-14(17-10-16-13)18(8-11-3-4-11)9-12-5-6-12/h7,10-12H,2-6,8-9H2,1H3,(H,15,16,17)
InChIKeyYEBWRTUKJKDZBE-UHFFFAOYSA-N
XLogP2.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107403068
4-N-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80774806
4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80796879
2-[cyanomethyl-[6-(ethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 80753559
2-N,2-N-bis(cyclopropylmethyl)-6-N-ethylpyrazine-2,6-diamine
CID 79033856
6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine
CID 80832211
4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772085
4-N,6-N-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80814654
4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80799090
2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967633
4-N,6-N-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80809064
4-N-butan-2-yl-4-N,6-N-diethylpyrimidine-4,6-diamine
CID 80782465

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine (CID 80835345) is 4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine is CCNc1cc(N(CC2CC2)CC2CC2)ncn1.
What is the InChIKey of 4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is YEBWRTUKJKDZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-15-13-7-14(17-10-16-13)18(8-11-3-4-11)9-12-5-6-12/h7,10-12H,2-6,8-9H2,1H3,(H,15,16,17).
What are the key properties of 4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine?
4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80835345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).