2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C10H17N5O — CID 80770389

IUPAC2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NCC2CC2)n1
InChIInChI=1S/C10H17N5O/c1-6(2)16-10-14-8(11)13-9(15-10)12-5-7-3-4-7/h6-7H,3-5H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyQNTJUIUKAVZGPJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.06
Rot. Bonds5

About 2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80770389) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80770389
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NCC2CC2)n1
InChIInChI=1S/C10H17N5O/c1-6(2)16-10-14-8(11)13-9(15-10)12-5-7-3-4-7/h6-7H,3-5H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyQNTJUIUKAVZGPJ-UHFFFAOYSA-N
XLogP1.06
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[(3-methylcyclopentyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 107415895
2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80847314
2-N-(1-cyclopropylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80838419
2-N-cyclopropyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80765120
4-chloro-N-[(4-ethylcyclohexyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63548907
2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 175422800
2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80831552
2-N-(1-cyclopentylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80835106
4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106138618
2-N-[(4-methylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827677
4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80818729
2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80792133

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80770389) is 2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CC(C)Oc1nc(N)nc(NCC2CC2)n1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is QNTJUIUKAVZGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-6(2)16-10-14-8(11)13-9(15-10)12-5-7-3-4-7/h6-7H,3-5H2,1-2H3,(H3,11,12,13,14,15).
What are the key properties of 2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 223.28 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80770389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).